Chemical ID: 4221827

COc1ccc(cc1CNCCc2ccc(cc2)Cl)Br
Chemical ID:
4221827
Name [?]:
N-[(5-bromo-2-methoxy-phenyl)methyl]-2-(4-chlorophenyl)-ethanamine
SMILES [?]:
COc1ccc(cc1CNCCc2ccc(cc2)Cl)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H17BrClNO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.8299
Area:528.147
Solvation:-2.37379
Coulombic:-19.0518
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:354.669
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.74
LogP (Chemaxon):4.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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