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

C14H21Cl2NO — CID 171264569

IUPAC(1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
SMILESCc1cc(Cl)ccc1[C@@H](N)[C@@H](O)C1CCCC1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-9-8-11(15)6-7-12(9)13(16)14(17)10-4-2-3-5-10;/h6-8,10,13-14,17H,2-5,16H2,1H3;1H/t13-,14+;/m1./s1
InChIKeyQCIQFLGKDJPZEE-DFQHDRSWSA-N
MW290.23 g/mol
LogP3.62
Rot. Bonds3

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

(1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride (PubChem CID 171264569) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
PubChem CID171264569
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name(1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
SMILESCc1cc(Cl)ccc1[C@@H](N)[C@@H](O)C1CCCC1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-9-8-11(15)6-7-12(9)13(16)14(17)10-4-2-3-5-10;/h6-8,10,13-14,17H,2-5,16H2,1H3;1H/t13-,14+;/m1./s1
InChIKeyQCIQFLGKDJPZEE-DFQHDRSWSA-N
XLogP3.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.62
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
(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclobutylethanol;hydrochloride
CID 171270243
(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
(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
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine
CID 83824559
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
CID 171262028
2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-4-chloro-6-methylphenol
CID 171265596
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride (CID 171264569) is (1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride is Cc1cc(Cl)ccc1[C@@H](N)[C@@H](O)C1CCCC1.Cl.
What is the InChIKey of (1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride?
The InChIKey is QCIQFLGKDJPZEE-DFQHDRSWSA-N. The full InChI is InChI=1S/C14H20ClNO.ClH/c1-9-8-11(15)6-7-12(9)13(16)14(17)10-4-2-3-5-10;/h6-8,10,13-14,17H,2-5,16H2,1H3;1H/t13-,14+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride?
(1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride has a molecular weight of 290.23 g/mol, XLogP of 3.62, 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-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride is sourced from PubChem (CID 171264569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).