4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol

C19H31NO — CID 103917609

IUPAC4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-19(2,13-14-21)15-20-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,17-18,20-21H,4,7-8,11-15H2,1-2H3
InChIKeyVWPKSBZPVIHZGU-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.31
Rot. Bonds7

About 4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol

4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol (PubChem CID 103917609) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol
PubChem CID103917609
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-19(2,13-14-21)15-20-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,17-18,20-21H,4,7-8,11-15H2,1-2H3
InChIKeyVWPKSBZPVIHZGU-UHFFFAOYSA-N
XLogP4.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759566
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
N-[cyclohexyl(phenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289803
N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516535
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477
2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol
CID 107864962
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 103921676
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol (CID 103917609) is 4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNC(c1ccccc1)C1CCCCC1.
What is the InChIKey of 4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol?
The InChIKey is VWPKSBZPVIHZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-19(2,13-14-21)15-20-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,17-18,20-21H,4,7-8,11-15H2,1-2H3.
What are the key properties of 4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol?
4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 103917609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).