(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride

C13H19Cl2NO — CID 171270243

IUPAC(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride
SMILESCc1cc(Cl)ccc1[C@H](N)[C@H](O)C1CCC1.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-8-7-10(14)5-6-11(8)12(15)13(16)9-3-2-4-9;/h5-7,9,12-13,16H,2-4,15H2,1H3;1H/t12-,13+;/m0./s1
InChIKeyDXYJDGGJEYWFHQ-JHEYCYPBSA-N
MW276.21 g/mol
LogP3.23
Rot. Bonds3

About (1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride

(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride (PubChem CID 171270243) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride
PubChem CID171270243
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride
SMILESCc1cc(Cl)ccc1[C@H](N)[C@H](O)C1CCC1.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-8-7-10(14)5-6-11(8)12(15)13(16)9-3-2-4-9;/h5-7,9,12-13,16H,2-4,15H2,1H3;1H/t12-,13+;/m0./s1
InChIKeyDXYJDGGJEYWFHQ-JHEYCYPBSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171270245
(1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171264569
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4-dichlorophenyl)ethanol;hydrochloride
CID 171162618
(1R,2S)-2-amino-2-(2-amino-5-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171270956
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-4-chloro-6-methylphenol
CID 171265596
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol
CID 171161275
(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261670
(1R,2S)-2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclobutylethanol
CID 171268985
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine
CID 83824559

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride?
The IUPAC name of (1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride (CID 171270243) is (1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride?
The canonical SMILES for (1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride is Cc1cc(Cl)ccc1[C@H](N)[C@H](O)C1CCC1.Cl.
What is the InChIKey of (1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride?
The InChIKey is DXYJDGGJEYWFHQ-JHEYCYPBSA-N. The full InChI is InChI=1S/C13H18ClNO.ClH/c1-8-7-10(14)5-6-11(8)12(15)13(16)9-3-2-4-9;/h5-7,9,12-13,16H,2-4,15H2,1H3;1H/t12-,13+;/m0./s1.
What are the key properties of (1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride?
(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride has a molecular weight of 276.21 g/mol, XLogP of 3.23, 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-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride is sourced from PubChem (CID 171270243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).