4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol

C17H27NO — CID 111467264

IUPAC4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol
SMILESCC1CCC(NC(CCCO)c2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-14-9-11-16(12-10-14)18-17(8-5-13-19)15-6-3-2-4-7-15/h2-4,6-7,14,16-19H,5,8-13H2,1H3
InChIKeyUTHPJQHUCTWRFE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.67
Rot. Bonds6

About 4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol

4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol (PubChem CID 111467264) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol
PubChem CID111467264
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol
SMILESCC1CCC(NC(CCCO)c2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-14-9-11-16(12-10-14)18-17(8-5-13-19)15-6-3-2-4-7-15/h2-4,6-7,14,16-19H,5,8-13H2,1H3
InChIKeyUTHPJQHUCTWRFE-UHFFFAOYSA-N
XLogP3.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4-methylcyclohexyl)amino]-4-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

4-methyl-N-(1-phenylpentyl)cyclohexan-1-amine
CID 43761510
4-N-(1-phenylpentyl)cyclohexane-1,4-diamine
CID 62319614
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-4-phenylbutan-1-ol
CID 110010822
N-benzhydryl-4-methylcyclohexan-1-amine
CID 43079012
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide
CID 111448436
1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
CID 43224633
4-[[(3aS,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]amino]-4-phenylbutan-1-ol
CID 154788919
4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003330
N-(3,3-dimethyl-1-phenylbutyl)-3-methylcyclopentan-1-amine
CID 64502336

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol?
The IUPAC name of 4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol (CID 111467264) is 4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol.
What is the SMILES notation for 4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol?
The canonical SMILES for 4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol is CC1CCC(NC(CCCO)c2ccccc2)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol?
The InChIKey is UTHPJQHUCTWRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-9-11-16(12-10-14)18-17(8-5-13-19)15-6-3-2-4-7-15/h2-4,6-7,14,16-19H,5,8-13H2,1H3.
What are the key properties of 4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol?
4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol is sourced from PubChem (CID 111467264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).