(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol

C17H27NO — CID 171162507

IUPAC(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol
SMILESCC(C)(C)c1ccc([C@H](N)[C@H](O)C2CCCC2)cc1
InChIInChI=1S/C17H27NO/c1-17(2,3)14-10-8-12(9-11-14)15(18)16(19)13-6-4-5-7-13/h8-11,13,15-16,19H,4-7,18H2,1-3H3/t15-,16+/m0/s1
InChIKeyYWJZTJIDOUPICZ-JKSUJKDBSA-N
MW261.41 g/mol
LogP3.54
Rot. Bonds3

About (1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol

(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol (PubChem CID 171162507) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol
PubChem CID171162507
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol
SMILESCC(C)(C)c1ccc([C@H](N)[C@H](O)C2CCCC2)cc1
InChIInChI=1S/C17H27NO/c1-17(2,3)14-10-8-12(9-11-14)15(18)16(19)13-6-4-5-7-13/h8-11,13,15-16,19H,4-7,18H2,1-3H3/t15-,16+/m0/s1
InChIKeyYWJZTJIDOUPICZ-JKSUJKDBSA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 171160385
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol
CID 171162391
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol
CID 171160646
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]benzoic acid
CID 171266509
N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide
CID 171262963
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-ditert-butylphenol;hydrochloride
CID 171160610
(1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride
CID 171263207
(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3,3-dimethylbutan-2-ol
CID 171161092
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol?
The IUPAC name of (1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol (CID 171162507) is (1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol is CC(C)(C)c1ccc([C@H](N)[C@H](O)C2CCCC2)cc1.
What is the InChIKey of (1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol?
The InChIKey is YWJZTJIDOUPICZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)14-10-8-12(9-11-14)15(18)16(19)13-6-4-5-7-13/h8-11,13,15-16,19H,4-7,18H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol?
(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol has a molecular weight of 261.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol is sourced from PubChem (CID 171162507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).