(2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol

C17H27NO — CID 102610105

IUPAC(2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
SMILESCC1CCC(CN[C@H](CO)Cc2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-14-7-9-16(10-8-14)12-18-17(13-19)11-15-5-3-2-4-6-15/h2-6,14,16-19H,7-13H2,1H3/t14?,16?,17-/m0/s1
InChIKeyHZUNUVUCXLGHPJ-PREGVCBESA-N
MW261.41 g/mol
LogP3.01
Rot. Bonds6

About (2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol

(2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 102610105) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
PubChem CID102610105
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
SMILESCC1CCC(CN[C@H](CO)Cc2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-14-7-9-16(10-8-14)12-18-17(13-19)11-15-5-3-2-4-6-15/h2-6,14,16-19H,7-13H2,1H3/t14?,16?,17-/m0/s1
InChIKeyHZUNUVUCXLGHPJ-PREGVCBESA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
CID 104922944
(2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid
CID 99779349
(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol
CID 102610116
2-[(1-methylpiperidin-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167281
2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol
CID 116521447
N-(cyclobutylmethyl)-1-phenylbutan-2-amine
CID 79007195
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
CID 102610255
4-[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(4-methylcyclohexyl)methylamino]propyl]amino]-3-(methylamino)propyl]phenol
CID 45482255
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 107860839
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
2-(heptylamino)-3-phenylpropan-1-ol
CID 63260589

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol (CID 102610105) is (2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol is CC1CCC(CN[C@H](CO)Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is HZUNUVUCXLGHPJ-PREGVCBESA-N. The full InChI is InChI=1S/C17H27NO/c1-14-7-9-16(10-8-14)12-18-17(13-19)11-15-5-3-2-4-6-15/h2-6,14,16-19H,7-13H2,1H3/t14?,16?,17-/m0/s1.
What are the key properties of (2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol?
(2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 102610105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).