2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride

C15H24ClNO2 — CID 171270298

IUPAC2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride
SMILESCc1ccc([C@H](N)[C@H](O)C2CCCCC2)c(O)c1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-10-7-8-12(13(17)9-10)14(16)15(18)11-5-3-2-4-6-11;/h7-9,11,14-15,17-18H,2-6,16H2,1H3;1H/t14-,15+;/m0./s1
InChIKeyUMZMTKXFXYVDNN-LDXVYITESA-N
MW285.82 g/mol
LogP3.06
Rot. Bonds3

About 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride

2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride (PubChem CID 171270298) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride
PubChem CID171270298
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC Name2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride
SMILESCc1ccc([C@H](N)[C@H](O)C2CCCCC2)c(O)c1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-10-7-8-12(13(17)9-10)14(16)15(18)11-5-3-2-4-6-11;/h7-9,11,14-15,17-18H,2-6,16H2,1H3;1H/t14-,15+;/m0./s1
InChIKeyUMZMTKXFXYVDNN-LDXVYITESA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;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

(1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride
CID 171261695
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methoxyphenol
CID 171261289
2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,4-diol;hydrochloride
CID 171261378
(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171270245
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4-fluorophenol;hydrochloride
CID 171261002
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride
CID 171264654
(1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171264569
2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,4-diol
CID 171267061
2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol
CID 171262376

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride?
The IUPAC name of 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride (CID 171270298) is 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride.
What is the SMILES notation for 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride?
The canonical SMILES for 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride is Cc1ccc([C@H](N)[C@H](O)C2CCCCC2)c(O)c1.Cl.
What is the InChIKey of 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride?
The InChIKey is UMZMTKXFXYVDNN-LDXVYITESA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-10-7-8-12(13(17)9-10)14(16)15(18)11-5-3-2-4-6-11;/h7-9,11,14-15,17-18H,2-6,16H2,1H3;1H/t14-,15+;/m0./s1.
What are the key properties of 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride?
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride is sourced from PubChem (CID 171270298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).