Chemical ID: 6446929

COc1ccc(cc1)NCc2cc(ccc2OC)Cl
Chemical ID:
6446929
Name [?]:
N-[(5-chloro-2-methoxy-phenyl)methyl]-4-methoxy-aniline
SMILES [?]:
COc1ccc(cc1)NCc2cc(ccc2OC)Cl
InChi [?]:
InChI=1/C15H16ClNO2/c1-18-14-6-4-13(5-7-14)17-10-11-9-12(16)3-8-15(11)19-2/h3-9,17H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,14,5,7,4,8,15,12,10,11,13,6,3,16,19,9,2,17/E:(4,5)(6,7)/rA:19nCOCCCCCCNCCCCCCCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s13;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16ClNO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.05673
Area:480.821
Solvation:-3.96379
Coulombic:-27.2675
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.746
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.83
LogP (Chemaxon):3.41

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Descriptor Annotations

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