2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride

C15H24ClNO2 — CID 171264654

IUPAC2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride
SMILESCc1cccc([C@@H](N)[C@@H](O)C2CCCCC2)c1O.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-10-6-5-9-12(14(10)17)13(16)15(18)11-7-3-2-4-8-11;/h5-6,9,11,13,15,17-18H,2-4,7-8,16H2,1H3;1H/t13-,15+;/m1./s1
InChIKeyJNOLSGDDVLDQAH-PBCQUBLHSA-N
MW285.81 g/mol
LogP3.06
Rot. Bonds3

About 2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride

2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride (PubChem CID 171264654) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride
PubChem CID171264654
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride
SMILESCc1cccc([C@@H](N)[C@@H](O)C2CCCCC2)c1O.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-10-6-5-9-12(14(10)17)13(16)15(18)11-7-3-2-4-8-11;/h5-6,9,11,13,15,17-18H,2-4,7-8,16H2,1H3;1H/t13-,15+;/m1./s1
InChIKeyJNOLSGDDVLDQAH-PBCQUBLHSA-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 ≤ 500285.81
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol
CID 171270321
(1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride
CID 171261814
2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride
CID 171212510
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride
CID 171268087
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-6-bromophenol;hydrochloride
CID 171267568
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
CID 171267921
(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol
CID 171261811
2-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-chlorophenol
CID 171268082
2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol
CID 171260974
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
CID 131181882
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride
CID 171262445
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride
CID 171270298

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride?
The IUPAC name of 2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride (CID 171264654) is 2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride.
What is the SMILES notation for 2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride?
The canonical SMILES for 2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride is Cc1cccc([C@@H](N)[C@@H](O)C2CCCCC2)c1O.Cl.
What is the InChIKey of 2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride?
The InChIKey is JNOLSGDDVLDQAH-PBCQUBLHSA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-10-6-5-9-12(14(10)17)13(16)15(18)11-7-3-2-4-8-11;/h5-6,9,11,13,15,17-18H,2-4,7-8,16H2,1H3;1H/t13-,15+;/m1./s1.
What are the key properties of 2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride?
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride has a molecular weight of 285.81 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-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride is sourced from PubChem (CID 171264654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).