1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol

C19H31NO — CID 82316363

IUPAC1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol
SMILESCC(C)CNC(C)C(O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-14(2)13-20-15(3)19(21)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-12,14-16,19-21H,4-8,13H2,1-3H3
InChIKeyPVDSYKLPHBEDHQ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.40
Rot. Bonds6

About 1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol

1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol (PubChem CID 82316363) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol
PubChem CID82316363
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol
SMILESCC(C)CNC(C)C(O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-14(2)13-20-15(3)19(21)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-12,14-16,19-21H,4-8,13H2,1-3H3
InChIKeyPVDSYKLPHBEDHQ-UHFFFAOYSA-N
XLogP4.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-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

1-(4-cyclobutylphenyl)-2-methylhexan-1-ol
CID 114247193
1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine
CID 43484998
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
2-amino-1-(4-cyclohexylphenyl)ethanol
CID 82114264
2-bromo-1-(4-cyclohexylphenyl)ethanol
CID 116863188
1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol
CID 103459446
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
1-(4-cyclobutylphenyl)-2,2-diethoxyethanol
CID 116505826
(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid
CID 13153059
[4-(1-methoxyethyl)phenyl]cycloheptane
CID 143858990
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82312791

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol?
The IUPAC name of 1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol (CID 82316363) is 1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol?
The canonical SMILES for 1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol is CC(C)CNC(C)C(O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol?
The InChIKey is PVDSYKLPHBEDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)13-20-15(3)19(21)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-12,14-16,19-21H,4-8,13H2,1-3H3.
What are the key properties of 1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol?
1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-2-(2-methylpropylamino)propan-1-ol is sourced from PubChem (CID 82316363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).