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

C17H27NO — CID 104922944

IUPAC(2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
SMILESCC1CCCC(CN[C@@H](CO)Cc2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-14-6-5-9-16(10-14)12-18-17(13-19)11-15-7-3-2-4-8-15/h2-4,7-8,14,16-19H,5-6,9-13H2,1H3/t14?,16?,17-/m1/s1
InChIKeyNWPQZWGTDAFQHL-BDVYOWHSSA-N
MW261.41 g/mol
LogP3.01
Rot. Bonds6

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

(2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 104922944) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
PubChem CID104922944
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
SMILESCC1CCCC(CN[C@@H](CO)Cc2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-14-6-5-9-16(10-14)12-18-17(13-19)11-15-7-3-2-4-8-15/h2-4,7-8,14,16-19H,5-6,9-13H2,1H3/t14?,16?,17-/m1/s1
InChIKeyNWPQZWGTDAFQHL-BDVYOWHSSA-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

(2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
CID 102610105
2-[(1-methylpiperidin-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167281
N-(cyclobutylmethyl)-1-phenylbutan-2-amine
CID 79007195
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol
CID 102610116
(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
CID 102613762
2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol
CID 116521447
(2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 102613768
2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 102673858
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide
CID 107863083
benzyl N-[(3-methylcyclohexyl)methyl]carbamate
CID 130157820
N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol (CID 104922944) is (2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol is CC1CCCC(CN[C@@H](CO)Cc2ccccc2)C1.
What is the InChIKey of (2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is NWPQZWGTDAFQHL-BDVYOWHSSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-6-5-9-16(10-14)12-18-17(13-19)11-15-7-3-2-4-8-15/h2-4,7-8,14,16-19H,5-6,9-13H2,1H3/t14?,16?,17-/m1/s1.
What are the key properties of (2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol?
(2R)-2-[(3-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 (2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104922944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).