(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol

C15H23NO — CID 171162391

IUPAC(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc([C@H](N)[C@H](O)C2CCC2)cc1
InChIInChI=1S/C15H23NO/c1-10(2)11-6-8-12(9-7-11)14(16)15(17)13-4-3-5-13/h6-10,13-15,17H,3-5,16H2,1-2H3/t14-,15+/m0/s1
InChIKeyBDGPKLMMTFBZOX-LSDHHAIUSA-N
MW233.36 g/mol
LogP2.97
Rot. Bonds4

About (1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol

(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 171162391) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol
PubChem CID171162391
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc([C@H](N)[C@H](O)C2CCC2)cc1
InChIInChI=1S/C15H23NO/c1-10(2)11-6-8-12(9-7-11)14(16)15(17)13-4-3-5-13/h6-10,13-15,17H,3-5,16H2,1-2H3/t14-,15+/m0/s1
InChIKeyBDGPKLMMTFBZOX-LSDHHAIUSA-N
XLogP2.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol
CID 171162507
4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]benzoic acid
CID 171266509
N-[4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]phenyl]acetamide
CID 171268634
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol
CID 130803068
(1R,2S)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171266933
(1S,2R)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171261250
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
(1S,2R)-2-amino-1-cyclobutyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171262203
N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide
CID 171262963

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of (1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol (CID 171162391) is (1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc([C@H](N)[C@H](O)C2CCC2)cc1.
What is the InChIKey of (1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is BDGPKLMMTFBZOX-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)11-6-8-12(9-7-11)14(16)15(17)13-4-3-5-13/h6-10,13-15,17H,3-5,16H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol?
(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 233.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 171162391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).