Chemical ID: 4405780

CN(CC(COCc1ccccc1)O)C2CCCCC2
Chemical ID:
4405780
Name [?]:
1-benzyloxy-3-(cyclohexyl-methyl-amino)-propan-2-ol
SMILES [?]:
CN(CC(COCc1ccccc1)O)C2CCCCC2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H27NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:7.80909
Area:510.589
Solvation:-4.95563
Coulombic:-30.8877
Bond Count [?]
All:21
Single:18
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.402
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.74
LogP (Chemaxon):2.98

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