2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol

C18H29NO — CID 103783342

IUPAC2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol
SMILESCCCC(C)(O)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-3-13-18(2,20)14-19-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-8,16-17,19-20H,3,9-14H2,1-2H3
InChIKeyRECUHCIKQWUMMI-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.85
Rot. Bonds6

About 2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol

2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol (PubChem CID 103783342) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol
PubChem CID103783342
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol
SMILESCCCC(C)(O)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-3-13-18(2,20)14-19-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-8,16-17,19-20H,3,9-14H2,1-2H3
InChIKeyRECUHCIKQWUMMI-UHFFFAOYSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
CID 19381411
2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 103617386
N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 103917259
2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
CID 104530190
1-(cyclopropylamino)-2-phenylpentan-2-ol
CID 62774377
1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol
CID 113252298
1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol
CID 103709849
3-[[(3-phenylcyclobutyl)amino]methyl]pentan-3-ol
CID 65108444
3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol
CID 115720405
2,4-dimethyl-1-[(3-phenylcyclobutyl)amino]pentan-2-ol
CID 66181051
1-(cyclopropylamino)-2-methyloctan-2-ol
CID 62774325
2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol
CID 106290615

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol?
The IUPAC name of 2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol (CID 103783342) is 2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol.
What is the SMILES notation for 2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol?
The canonical SMILES for 2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol is CCCC(C)(O)CNC1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol?
The InChIKey is RECUHCIKQWUMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-13-18(2,20)14-19-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-8,16-17,19-20H,3,9-14H2,1-2H3.
What are the key properties of 2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol?
2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol has a molecular weight of 275.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol is sourced from PubChem (CID 103783342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).