(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride

C16H26ClNO — CID 171267921

IUPAC(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
SMILESCc1cccc(C)c1[C@H](N)[C@H](O)C1CCCCC1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-11-7-6-8-12(2)14(11)15(17)16(18)13-9-4-3-5-10-13;/h6-8,13,15-16,18H,3-5,9-10,17H2,1-2H3;1H/t15-,16+;/m0./s1
InChIKeyLNKUFMXQYUECHO-IDVLALEDSA-N
MW283.84 g/mol
LogP3.67
Rot. Bonds3

About (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride

(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride (PubChem CID 171267921) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
PubChem CID171267921
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
SMILESCc1cccc(C)c1[C@H](N)[C@H](O)C1CCCCC1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-11-7-6-8-12(2)14(11)15(17)16(18)13-9-4-3-5-10-13;/h6-8,13,15-16,18H,3-5,9-10,17H2,1-2H3;1H/t15-,16+;/m0./s1
InChIKeyLNKUFMXQYUECHO-IDVLALEDSA-N
XLogP3.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride
CID 171264654
(1S,2R)-2-amino-1-cyclopentyl-2-(2,3-dimethylphenyl)ethanol;hydrochloride
CID 171261814
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethoxyphenyl)ethanol;hydrochloride
CID 171267091
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanol
CID 171268340
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171269778
4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol
CID 171266603
(1S,2R)-2-amino-1-cyclopentyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171264100
(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol
CID 171261811
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3,4,5,6-pentamethylphenyl)ethanol
CID 171270673
(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171210736
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride
CID 171266126
(1S,2R)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171264050

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride?
The IUPAC name of (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride (CID 171267921) is (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride?
The canonical SMILES for (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride is Cc1cccc(C)c1[C@H](N)[C@H](O)C1CCCCC1.Cl.
What is the InChIKey of (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride?
The InChIKey is LNKUFMXQYUECHO-IDVLALEDSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-11-7-6-8-12(2)14(11)15(17)16(18)13-9-4-3-5-10-13;/h6-8,13,15-16,18H,3-5,9-10,17H2,1-2H3;1H/t15-,16+;/m0./s1.
What are the key properties of (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride?
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171267921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).