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

C17H27NO — CID 115720405

IUPAC3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol
SMILESCC(C)C(O)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-13(2)17(19)12-18-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,13,15-19H,8-12H2,1-2H3
InChIKeyRNPJMBRDCUSINB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.32
Rot. Bonds5

About 3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol

3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol (PubChem CID 115720405) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol
PubChem CID115720405
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol
SMILESCC(C)C(O)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-13(2)17(19)12-18-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,13,15-19H,8-12H2,1-2H3
InChIKeyRNPJMBRDCUSINB-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylbutyl)-4-phenylcyclohexan-1-amine
CID 43673843
2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile
CID 62647435
1-(cyclopropylamino)-3-phenylbutan-2-ol
CID 62773740
N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
CID 19381411
N-but-2-ynyl-4-phenylcyclohexan-1-amine
CID 115896951
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
(2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol
CID 59051627
3-[(4-phenylcyclohexyl)amino]propan-1-ol
CID 28714370
2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol
CID 103783342
N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine
CID 115584682
2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 103617386
4-[(4-phenylcyclohexyl)amino]butan-1-ol
CID 106841006

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol?
The IUPAC name of 3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol (CID 115720405) is 3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol is CC(C)C(O)CNC1CCC(c2ccccc2)CC1.
What is the InChIKey of 3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol?
The InChIKey is RNPJMBRDCUSINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)17(19)12-18-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,13,15-19H,8-12H2,1-2H3.
What are the key properties of 3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol?
3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol is sourced from PubChem (CID 115720405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).