Chemical ID: 7108948

COc1ccc(cc1CNCc2ccccc2Cl)Cl
Chemical ID:
7108948
Name [?]:
1-(5-chloro-2-methoxy-phenyl)-N-[(2-chlorophenyl)methyl]methanamine
SMILES [?]:
COc1ccc(cc1CNCc2ccccc2Cl)Cl
InChi [?]:
InChI=1/C15H15Cl2NO/c1-19-15-7-6-13(16)8-12(15)10-18-9-11-4-2-3-5-14(11)17/h2-8,18H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,5,4,7,11,9,12,8,6,17,3,19,18,10,2/rA:19nCOCCCCCCCNCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15Cl2NO
All Atoms:34
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.85393
Area:495.139
Solvation:-2.52455
Coulombic:-19.1092
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.191
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.4
LogP (Chemaxon):4.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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