Chemical ID: 7108946

CC(c1ccccc1)NCc2cc(ccc2OC)Cl
Chemical ID:
7108946
Name [?]:
N-[(5-chloro-2-methoxy-phenyl)methyl]-1-phenyl-ethanamine
SMILES [?]:
CC(c1ccccc1)NCc2cc(ccc2OC)Cl
InChi [?]:
InChI=1/C16H18ClNO/c1-12(13-6-4-3-5-7-13)18-11-14-10-15(17)8-9-16(14)19-2/h3-10,12,18H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,6,5,7,4,8,14,15,12,10,2,3,11,13,16,19,9,17/E:(4,5)(6,7)/rA:19cCCCCCCCCNCCCCCCCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s13;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18ClNO
All Atoms:37
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.1723
Area:486.6
Solvation:-2.99269
Coulombic:-18.4433
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.773
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.31
LogP (Chemaxon):4.03

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Descriptor Annotations

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