Chemical ID: 4298241

COc1ccc(cc1Br)CNC23CC4CC(C2)CC(C4)C3
Chemical ID:
4298241
Name [?]:
N-[(3-bromo-4-methoxy-phenyl)methyl]adamantan-1-amine
SMILES [?]:
COc1ccc(cc1Br)CNC23CC4CC(C2)CC(C4)C3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H24BrNO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.629
Area:481.112
Solvation:-2.3988
Coulombic:-17.883
Bond Count [?]
All:24
Single:21
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:350.293
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.12
LogP (Chemaxon):3.83

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue