(1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride

C15H24ClNO — CID 171261814

IUPAC(1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride
SMILESCc1cccc([C@@H](N)[C@@H](O)C2CCCC2)c1C.Cl
InChIInChI=1S/C15H23NO.ClH/c1-10-6-5-9-13(11(10)2)14(16)15(17)12-7-3-4-8-12;/h5-6,9,12,14-15,17H,3-4,7-8,16H2,1-2H3;1H/t14-,15+;/m1./s1
InChIKeyCHYPHBLMYQEPHR-LIOBNPLQSA-N
MW269.82 g/mol
LogP3.28
Rot. Bonds3

About (1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride

(1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride (PubChem CID 171261814) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride
PubChem CID171261814
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name(1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride
SMILESCc1cccc([C@@H](N)[C@@H](O)C2CCCC2)c1C.Cl
InChIInChI=1S/C15H23NO.ClH/c1-10-6-5-9-13(11(10)2)14(16)15(17)12-7-3-4-8-12;/h5-6,9,12,14-15,17H,3-4,7-8,16H2,1-2H3;1H/t14-,15+;/m1./s1
InChIKeyCHYPHBLMYQEPHR-LIOBNPLQSA-N
XLogP3.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol
CID 171261811
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride
CID 171264654
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
CID 171267921
(1R,2S)-2-amino-1-cyclopropyl-2-(3-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267747
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol
CID 171270321
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-6-bromophenol;hydrochloride
CID 171267568
2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride
CID 171212510
2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171270245
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride
CID 171268087
(1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171264569

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride (CID 171261814) is (1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride is Cc1cccc([C@@H](N)[C@@H](O)C2CCCC2)c1C.Cl.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride?
The InChIKey is CHYPHBLMYQEPHR-LIOBNPLQSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-10-6-5-9-13(11(10)2)14(16)15(17)12-7-3-4-8-12;/h5-6,9,12,14-15,17H,3-4,7-8,16H2,1-2H3;1H/t14-,15+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride?
(1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.28, 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-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171261814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).