1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol

C17H27NO — CID 12549093

IUPAC1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol
SMILESCN(C)CC(O)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-18(2)13-16(19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15-17,19H,4,7-8,11-13H2,1-2H3
InChIKeySNCPXRHXJYTAEA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.27
Rot. Bonds5

About 1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol

1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol (PubChem CID 12549093) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol
PubChem CID12549093
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol
SMILESCN(C)CC(O)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-18(2)13-16(19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15-17,19H,4,7-8,11-13H2,1-2H3
InChIKeySNCPXRHXJYTAEA-UHFFFAOYSA-N
XLogP3.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-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

(R)-cycloheptyl(phenyl)methanol
CID 94502427
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
2-(dicyclohexylamino)-1-phenylethanol
CID 10946557
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride
CID 175237922
(2-benzyl-1-cyclopentyl-3-methylbutyl)benzene
CID 173352600
[cyclopentyl(phenyl)methyl]-methylborinic acid
CID 142019087
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol
CID 46915097
[(1S,2R)-2-cyclohexyl-2-hydroxy-1-phenylethyl]-dimethylsulfanium iodide
CID 10691895
[(1S)-1-cyclopentylethyl]benzene
CID 102346711

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol?
The IUPAC name of 1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol (CID 12549093) is 1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol.
What is the SMILES notation for 1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol?
The canonical SMILES for 1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol is CN(C)CC(O)C(c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol?
The InChIKey is SNCPXRHXJYTAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-18(2)13-16(19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15-17,19H,4,7-8,11-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol?
1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(dimethylamino)-1-phenylpropan-2-ol is sourced from PubChem (CID 12549093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).