(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol

C15H23NO — CID 134503072

IUPAC(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
SMILESC[C@H](NC1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-12(16-14-10-6-3-7-11-14)15(17)13-8-4-2-5-9-13/h2,4-5,8-9,12,14-17H,3,6-7,10-11H2,1H3/t12-,15?/m0/s1
InChIKeyCOMRBFIXJSJFTE-SFVWDYPZSA-N
MW233.36 g/mol
LogP3.03
Rot. Bonds4

About (2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol

(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol (PubChem CID 134503072) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
PubChem CID134503072
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
SMILESC[C@H](NC1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-12(16-14-10-6-3-7-11-14)15(17)13-8-4-2-5-9-13/h2,4-5,8-9,12,14-17H,3,6-7,10-11H2,1H3/t12-,15?/m0/s1
InChIKeyCOMRBFIXJSJFTE-SFVWDYPZSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(cyclohexylamino)-1-phenylpropan-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

(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82312791
2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
CID 70554945
2-(cyclohexylamino)-1-phenylbutan-1-ol
CID 82312145
2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316057
1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 40541623
N-(1-phenylethyl)cyclododecanamine
CID 60662638
2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol
CID 82316270
2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol
CID 82314428
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82315043

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol?
The IUPAC name of (2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol (CID 134503072) is (2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol is C[C@H](NC1CCCCC1)C(O)c1ccccc1.
What is the InChIKey of (2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol?
The InChIKey is COMRBFIXJSJFTE-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(16-14-10-6-3-7-11-14)15(17)13-8-4-2-5-9-13/h2,4-5,8-9,12,14-17H,3,6-7,10-11H2,1H3/t12-,15?/m0/s1.
What are the key properties of (2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol?
(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 134503072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).