(1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride

C15H23BrClNO — CID 171261695

IUPAC(1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride
SMILESCc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)c(Br)c1.Cl
InChIInChI=1S/C15H22BrNO.ClH/c1-10-7-8-12(13(16)9-10)14(17)15(18)11-5-3-2-4-6-11;/h7-9,11,14-15,18H,2-6,17H2,1H3;1H/t14-,15+;/m1./s1
InChIKeyHJWBIQCNEIWRKR-LIOBNPLQSA-N
MW348.71 g/mol
LogP4.12
Rot. Bonds3

About (1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride

(1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride (PubChem CID 171261695) has the molecular formula C15H23BrClNO and a molecular weight of 348.71 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride
PubChem CID171261695
Molecular FormulaC15H23BrClNO
Molecular Weight348.71 g/mol
Exact Mass347.07
IUPAC Name(1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride
SMILESCc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)c(Br)c1.Cl
InChIInChI=1S/C15H22BrNO.ClH/c1-10-7-8-12(13(16)9-10)14(17)15(18)11-5-3-2-4-6-11;/h7-9,11,14-15,18H,2-6,17H2,1H3;1H/t14-,15+;/m1./s1
InChIKeyHJWBIQCNEIWRKR-LIOBNPLQSA-N
XLogP4.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride
CID 171270298
(2-bromo-4-methylphenyl)-cycloheptylmethanol
CID 82928098
(2-bromo-4-methylphenyl)-cyclohexylmethanamine
CID 114981605
(S)-(2-bromo-4-methylphenyl)-cyclopentylmethanamine
CID 171221683
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride
CID 171261686
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171240370
(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171270245
(1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171264569
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
CID 171262028
(1S,2R)-1-amino-1-(2-bromo-4-methylphenyl)-3-methylbutan-2-ol
CID 131392240
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-6-bromophenol;hydrochloride
CID 171267568

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride (CID 171261695) is (1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride is Cc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)c(Br)c1.Cl.
What is the InChIKey of (1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride?
The InChIKey is HJWBIQCNEIWRKR-LIOBNPLQSA-N. The full InChI is InChI=1S/C15H22BrNO.ClH/c1-10-7-8-12(13(16)9-10)14(17)15(18)11-5-3-2-4-6-11;/h7-9,11,14-15,18H,2-6,17H2,1H3;1H/t14-,15+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride?
(1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride has a molecular weight of 348.71 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride is sourced from PubChem (CID 171261695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).