4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride

C16H26ClNO2 — CID 171262445

IUPAC4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride
SMILESCc1cc([C@@H](N)[C@@H](O)C2CCCCC2)cc(C)c1O.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-10-8-13(9-11(2)15(10)18)14(17)16(19)12-6-4-3-5-7-12;/h8-9,12,14,16,18-19H,3-7,17H2,1-2H3;1H/t14-,16+;/m1./s1
InChIKeyYNVKNDLEDRIOMQ-XMZRARIVSA-N
MW299.84 g/mol
LogP3.37
Rot. Bonds3

About 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride

4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride (PubChem CID 171262445) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride
PubChem CID171262445
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride
SMILESCc1cc([C@@H](N)[C@@H](O)C2CCCCC2)cc(C)c1O.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-10-8-13(9-11(2)15(10)18)14(17)16(19)12-6-4-3-5-7-12;/h8-9,12,14,16,18-19H,3-7,17H2,1-2H3;1H/t14-,16+;/m1./s1
InChIKeyYNVKNDLEDRIOMQ-XMZRARIVSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-ditert-butylphenol;hydrochloride
CID 171160610
4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride
CID 171224638
(1R,2S)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171266933
(1S,2R)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171261250
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol;hydrochloride
CID 171160226
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol
CID 171160225
(1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol
CID 171162272
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride
CID 171264654
(1R,2S)-2-amino-2-(3-chloro-4-methylphenyl)-1-cyclohexylethanol
CID 171267974
4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol
CID 171266603
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
CID 171267921

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride?
The IUPAC name of 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride (CID 171262445) is 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride.
What is the SMILES notation for 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride?
The canonical SMILES for 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride is Cc1cc([C@@H](N)[C@@H](O)C2CCCCC2)cc(C)c1O.Cl.
What is the InChIKey of 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride?
The InChIKey is YNVKNDLEDRIOMQ-XMZRARIVSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c1-10-8-13(9-11(2)15(10)18)14(17)16(19)12-6-4-3-5-7-12;/h8-9,12,14,16,18-19H,3-7,17H2,1-2H3;1H/t14-,16+;/m1./s1.
What are the key properties of 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride?
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride is sourced from PubChem (CID 171262445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).