Chemical ID: 4182619

COc1ccc(cc1)CNCCc2cccc(c2)Cl
Chemical ID:
4182619
Name [?]:
2-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILES [?]:
COc1ccc(cc1)CNCCc2cccc(c2)Cl
InChi [?]:
InChI=1/C16H18ClNO/c1-19-16-7-5-14(6-8-16)12-18-10-9-13-3-2-4-15(17)11-13/h2-8,11,18H,9-10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,5,7,4,8,12,11,18,9,13,6,17,3,19,10,2/E:(5,6)(7,8)/rA:19nCOCCCCCCCNCCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18ClNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.88151
Area:503.321
Solvation:-2.70153
Coulombic:-18.9815
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.773
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.94
LogP (Chemaxon):3.87

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