Chemical ID: 7102622

CCOc1cc(ccc1OC)CNCc2ccccc2Cl
Chemical ID:
7102622
Name [?]:
N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-methoxy-phenyl)-methanamine
SMILES [?]:
CCOc1cc(ccc1OC)CNCc2ccccc2Cl
InChi [?]:
InChI=1/C17H20ClNO2/c1-3-21-17-10-13(8-9-16(17)20-2)11-19-12-14-6-4-5-7-15(14)18/h4-10,19H,3,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,17,18,16,19,7,8,5,12,14,6,15,20,9,4,21,13,10,3/rA:21nCCOCCCCCCOCCNCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20ClNO2
All Atoms:41
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.32561
Area:525.994
Solvation:-4.82424
Coulombic:-25.2442
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.799
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.85
LogP (Chemaxon):3.7

Name Annotations

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Descriptor Annotations

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