2-(cyclohexylamino)-1-phenylbutan-1-ol

C16H25NO — CID 82312145

IUPAC2-(cyclohexylamino)-1-phenylbutan-1-ol
SMILESCCC(NC1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-15(17-14-11-7-4-8-12-14)16(18)13-9-5-3-6-10-13/h3,5-6,9-10,14-18H,2,4,7-8,11-12H2,1H3
InChIKeyPXUOOXZYDVAHAR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.42
Rot. Bonds5

About 2-(cyclohexylamino)-1-phenylbutan-1-ol

2-(cyclohexylamino)-1-phenylbutan-1-ol (PubChem CID 82312145) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-phenylbutan-1-ol
PubChem CID82312145
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(cyclohexylamino)-1-phenylbutan-1-ol
SMILESCCC(NC1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-15(17-14-11-7-4-8-12-14)16(18)13-9-5-3-6-10-13/h3,5-6,9-10,14-18H,2,4,7-8,11-12H2,1H3
InChIKeyPXUOOXZYDVAHAR-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(cyclohexylamino)-1-phenylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol
CID 82314292
(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
3-(cyclohexylamino)-4-hydroxy-4-(4-methylphenyl)butanoic acid
CID 82347449
2-(cyclopentylamino)-3-phenylbutan-1-ol
CID 61309786
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide
CID 82315413
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
N-cycloheptyl-2-phenylbutanamide
CID 2890971
(1R,2R)-2-(cyclohexylamino)-1-phenyl-2-pyridin-3-ylethanol
CID 15247406
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-phenylbutan-1-ol?
The IUPAC name of 2-(cyclohexylamino)-1-phenylbutan-1-ol (CID 82312145) is 2-(cyclohexylamino)-1-phenylbutan-1-ol.
What is the SMILES notation for 2-(cyclohexylamino)-1-phenylbutan-1-ol?
The canonical SMILES for 2-(cyclohexylamino)-1-phenylbutan-1-ol is CCC(NC1CCCCC1)C(O)c1ccccc1.
What is the InChIKey of 2-(cyclohexylamino)-1-phenylbutan-1-ol?
The InChIKey is PXUOOXZYDVAHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-15(17-14-11-7-4-8-12-14)16(18)13-9-5-3-6-10-13/h3,5-6,9-10,14-18H,2,4,7-8,11-12H2,1H3.
What are the key properties of 2-(cyclohexylamino)-1-phenylbutan-1-ol?
2-(cyclohexylamino)-1-phenylbutan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-phenylbutan-1-ol is sourced from PubChem (CID 82312145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).