2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol

C17H27NO — CID 115907198

IUPAC2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol
SMILESCC1CC(C)CC(NC(C)(CO)c2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-13-9-14(2)11-16(10-13)18-17(3,12-19)15-7-5-4-6-8-15/h4-8,13-14,16,18-19H,9-12H2,1-3H3
InChIKeyCMRHKXOBOMONME-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.31
Rot. Bonds4

About 2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol

2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol (PubChem CID 115907198) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol
PubChem CID115907198
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol
SMILESCC1CC(C)CC(NC(C)(CO)c2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-13-9-14(2)11-16(10-13)18-17(3,12-19)15-7-5-4-6-8-15/h4-8,13-14,16,18-19H,9-12H2,1-3H3
InChIKeyCMRHKXOBOMONME-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Propanediol, 2-(((1,1'-biphenyl)-4-ylmethyl)amino)-2-methyl-, hydrochloride
CID 149654
(R)-2-(benzylamino)butan-1-ol
CID 927306
(2RS)-2-(Dimethylamino)-2-phenylbutanol
CID 3016037
1-Phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride
CID 6464095
Threo-ritalinol hydrochloride
CID 10726933
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
2-(Benzylamino)-1,2-diphenylethanol
CID 222507
N-methyl-1,2-diphenylethanolamine
CID 99708
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
(+)-cis-2-Benzylaminocyclohexanemethanol
CID 853687
(-)-cis-2-Benzylaminocyclohexanemethanol
CID 853690
(2S)-2-(benzylamino)butan-1-ol
CID 927305

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol (CID 115907198) is 2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol is CC1CC(C)CC(NC(C)(CO)c2ccccc2)C1.
What is the InChIKey of 2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol?
The InChIKey is CMRHKXOBOMONME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-9-14(2)11-16(10-13)18-17(3,12-19)15-7-5-4-6-8-15/h4-8,13-14,16,18-19H,9-12H2,1-3H3.
What are the key properties of 2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol?
2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol is sourced from PubChem (CID 115907198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).