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

C17H27NO — CID 102613768

IUPAC(2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
SMILESCC1CCCC(N[C@H](CO)Cc2ccccc2)C1C
InChIInChI=1S/C17H27NO/c1-13-7-6-10-17(14(13)2)18-16(12-19)11-15-8-4-3-5-9-15/h3-5,8-9,13-14,16-19H,6-7,10-12H2,1-2H3/t13?,14?,16-,17?/m0/s1
InChIKeyFYXTZURGMYKMOM-XRFBTWBJSA-N
MW261.41 g/mol
LogP3.00
Rot. Bonds5

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

(2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol (PubChem CID 102613768) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
PubChem CID102613768
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
SMILESCC1CCCC(N[C@H](CO)Cc2ccccc2)C1C
InChIInChI=1S/C17H27NO/c1-13-7-6-10-17(14(13)2)18-16(12-19)11-15-8-4-3-5-9-15/h3-5,8-9,13-14,16-19H,6-7,10-12H2,1-2H3/t13?,14?,16-,17?/m0/s1
InChIKeyFYXTZURGMYKMOM-XRFBTWBJSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-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

(2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol
CID 104926144
2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol
CID 64773964
(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104922859
(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104926199
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
CID 102613736
2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol
CID 96980281
(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
CID 102613762
2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine
CID 43101166
(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol
CID 102613855
3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64758826
(2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
CID 104922944
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol (CID 102613768) is (2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol is CC1CCCC(N[C@H](CO)Cc2ccccc2)C1C.
What is the InChIKey of (2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol?
The InChIKey is FYXTZURGMYKMOM-XRFBTWBJSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-7-6-10-17(14(13)2)18-16(12-19)11-15-8-4-3-5-9-15/h3-5,8-9,13-14,16-19H,6-7,10-12H2,1-2H3/t13?,14?,16-,17?/m0/s1.
What are the key properties of (2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol?
(2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 102613768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).