4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol

C17H27NO — CID 115149482

IUPAC4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol
SMILESCCC(C)c1ccc(CNC2CCC(O)CC2)cc1
InChIInChI=1S/C17H27NO/c1-3-13(2)15-6-4-14(5-7-15)12-18-16-8-10-17(19)11-9-16/h4-7,13,16-19H,3,8-12H2,1-2H3
InChIKeyQIHAFKIPCPYSBD-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.59
Rot. Bonds5

About 4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol

4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol (PubChem CID 115149482) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol
PubChem CID115149482
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol
SMILESCCC(C)c1ccc(CNC2CCC(O)CC2)cc1
InChIInChI=1S/C17H27NO/c1-3-13(2)15-6-4-14(5-7-15)12-18-16-8-10-17(19)11-9-16/h4-7,13,16-19H,3,8-12H2,1-2H3
InChIKeyQIHAFKIPCPYSBD-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-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

N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
CID 82262237
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
CID 107229822
4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979753
4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
CID 43178531
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
CID 115149551
N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308491
4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926323
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol (CID 115149482) is 4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol is CCC(C)c1ccc(CNC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is QIHAFKIPCPYSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-13(2)15-6-4-14(5-7-15)12-18-16-8-10-17(19)11-9-16/h4-7,13,16-19H,3,8-12H2,1-2H3.
What are the key properties of 4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol?
4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 115149482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).