(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol

C14H21NO — CID 171261811

IUPAC(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol
SMILESCc1cccc([C@@H](N)[C@@H](O)C2CCC2)c1C
InChIInChI=1S/C14H21NO/c1-9-5-3-8-12(10(9)2)13(15)14(16)11-6-4-7-11/h3,5,8,11,13-14,16H,4,6-7,15H2,1-2H3/t13-,14+/m1/s1
InChIKeyVVTLAZLKAIZXJC-KGLIPLIRSA-N
MW219.33 g/mol
LogP2.46
Rot. Bonds3

About (1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol

(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol (PubChem CID 171261811) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol
PubChem CID171261811
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol
SMILESCc1cccc([C@@H](N)[C@@H](O)C2CCC2)c1C
InChIInChI=1S/C14H21NO/c1-9-5-3-8-12(10(9)2)13(15)14(16)11-6-4-7-11/h3,5,8,11,13-14,16H,4,6-7,15H2,1-2H3/t13-,14+/m1/s1
InChIKeyVVTLAZLKAIZXJC-KGLIPLIRSA-N
XLogP2.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride
CID 171261814
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride
CID 171264654
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol
CID 171270321
6-bicyclo[3.1.0]hexanyl-(2,3-dimethylphenyl)methanol
CID 115791560
(1R,2S)-2-amino-1-cyclopropyl-2-(3-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267747
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
CID 171267921
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
(1R,2S)-2-amino-1-cyclobutyl-2-(2-iodophenyl)ethanol
CID 171269906
2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol
CID 171260974
2-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-chlorophenol
CID 171268082
(1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 131347710
(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424313

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol?
The IUPAC name of (1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol (CID 171261811) is (1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol?
The canonical SMILES for (1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol is Cc1cccc([C@@H](N)[C@@H](O)C2CCC2)c1C.
What is the InChIKey of (1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol?
The InChIKey is VVTLAZLKAIZXJC-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-5-3-8-12(10(9)2)13(15)14(16)11-6-4-7-11/h3,5,8,11,13-14,16H,4,6-7,15H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol?
(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol is sourced from PubChem (CID 171261811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).