2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride

C14H22ClNO3 — CID 171266126

IUPAC2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cccc(O)c1[C@@H](N)[C@@H](O)C1CCCC1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-18-11-8-4-7-10(16)12(11)13(15)14(17)9-5-2-3-6-9;/h4,7-9,13-14,16-17H,2-3,5-6,15H2,1H3;1H/t13-,14+;/m1./s1
InChIKeySQKMODHCJKXPNR-DFQHDRSWSA-N
MW287.79 g/mol
LogP2.37
Rot. Bonds4

About 2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride

2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride (PubChem CID 171266126) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride
PubChem CID171266126
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cccc(O)c1[C@@H](N)[C@@H](O)C1CCCC1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-18-11-8-4-7-10(16)12(11)13(15)14(17)9-5-2-3-6-9;/h4,7-9,13-14,16-17H,2-3,5-6,15H2,1H3;1H/t13-,14+;/m1./s1
InChIKeySQKMODHCJKXPNR-DFQHDRSWSA-N
XLogP2.37
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethoxyphenyl)ethanol;hydrochloride
CID 171267091
(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol
CID 171269957
2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
CID 171235941
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 171268315
2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171263091
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
CID 171267921
2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol
CID 171216296
2-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-3-methoxyphenol;hydrochloride
CID 171271799
5-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-2-methoxyphenol;hydrochloride
CID 171160739
(S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride
CID 171220722
(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 171162193

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride (CID 171266126) is 2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride is COc1cccc(O)c1[C@@H](N)[C@@H](O)C1CCCC1.Cl.
What is the InChIKey of 2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride?
The InChIKey is SQKMODHCJKXPNR-DFQHDRSWSA-N. The full InChI is InChI=1S/C14H21NO3.ClH/c1-18-11-8-4-7-10(16)12(11)13(15)14(17)9-5-2-3-6-9;/h4,7-9,13-14,16-17H,2-3,5-6,15H2,1H3;1H/t13-,14+;/m1./s1.
What are the key properties of 2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride?
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride is sourced from PubChem (CID 171266126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).