
 {4-[(3-fluorophenyl)methoxy]phenyl}methanamine hydrochloride

 33 33  0  0  0  0  0  0  0  0999 V2000
    0.0841   -1.2077   -1.1161 C   0  0  0  0  0
    1.4384   -1.5548   -1.1528 C   0  0  0  0  0
    2.1614   -1.7073    0.0420 C   0  0  0  0  0
    1.5112   -1.5084    1.2724 C   0  0  0  0  0
    0.1565   -1.1617    1.3038 C   0  0  0  0  0
   -0.5562   -1.0116    0.1107 C   0  0  0  0  0
   -0.4666   -0.9733    2.4927 F   0  0  0  0  0
    3.6144   -2.0886   -0.0013 C   0  0  0  0  0
    4.3302   -1.1241   -0.6852 O   0  0  0  0  0
    5.6698   -1.1642   -0.9180 C   0  0  0  0  0
    6.2600   -0.1074   -1.6222 C   0  0  0  0  0
    7.6338   -0.1063   -1.8824 C   0  0  0  0  0
    8.4393   -1.1664   -1.4396 C   0  0  0  0  0
    7.8533   -2.2294   -0.7358 C   0  0  0  0  0
    6.4802   -2.2311   -0.4749 C   0  0  0  0  0
    9.9183   -1.1614   -1.7232 C   0  0  0  0  0
   10.5476    0.0041   -1.1109 N   0  0  0  0  0
   -1.1069    1.2434    4.9280 Cl  0  0  0  0  0
   -0.4696   -1.0922   -2.0389 H   0  0  0  0  0
    1.9248   -1.7069   -2.1086 H   0  0  0  0  0
    2.0519   -1.6232    2.2037 H   0  0  0  0  0
   -1.6048   -0.7443    0.1361 H   0  0  0  0  0
    3.7079   -3.0685   -0.5187 H   0  0  0  0  0
    4.0210   -2.1866    1.0296 H   0  0  0  0  0
    5.6501    0.7176   -1.9690 H   0  0  0  0  0
    8.0721    0.7200   -2.4287 H   0  0  0  0  0
    8.4594   -3.0564   -0.3877 H   0  0  0  0  0
    6.0581   -3.0637    0.0709 H   0  0  0  0  0
   10.0737   -1.1305   -2.8226 H   0  0  0  0  0
   10.4038   -2.0856   -1.3349 H   0  0  0  0  0
   11.5674   -0.0082   -1.3414 H   0  0  0  0  0
   10.4521   -0.0617   -0.0710 H   0  0  0  0  0
   -0.3997    0.1833    5.4463 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 25  1  0  0  0
 12 13  2  0  0  0
 12 26  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 27  1  0  0  0
 15 28  1  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
 18 33  1  0  0  0
M  END

>  <Chemical Name>
{4-[(3-fluorophenyl)methoxy]phenyl}methanamine hydrochloride

>  <PubChem CID>
47003377

>  <Formula>
C14H15ClFNO

>  <Molecular Weight>
267.728000

>  <IUPAC Name>
[4-[(3-fluorophenyl)methoxy]phenyl]methanamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)CN.Cl

>  <Isomeric SMILES>
C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)CN.Cl

>  <InChI Std. ID>
InChI=1S/C14H14FNO.ClH/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14;/h1-8H,9-10,16H2;1H

>  <InChI Key>
CYPDLWIUOMSUJR-UHFFFAOYSA-N

