(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol

C14H19BrClNO — CID 171262028

IUPAC(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
SMILESN[C@H](c1cc(Cl)ccc1Br)[C@@H](O)C1CCCCC1
InChIInChI=1S/C14H19BrClNO/c15-12-7-6-10(16)8-11(12)13(17)14(18)9-4-2-1-3-5-9/h6-9,13-14,18H,1-5,17H2/t13-,14+/m1/s1
InChIKeySFFYLUKHARSLBZ-KGLIPLIRSA-N
MW332.67 g/mol
LogP4.04
Rot. Bonds3

About (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol

(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol (PubChem CID 171262028) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
PubChem CID171262028
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
SMILESN[C@H](c1cc(Cl)ccc1Br)[C@@H](O)C1CCCCC1
InChIInChI=1S/C14H19BrClNO/c15-12-7-6-10(16)8-11(12)13(17)14(18)9-4-2-1-3-5-9/h6-9,13-14,18H,1-5,17H2/t13-,14+/m1/s1
InChIKeySFFYLUKHARSLBZ-KGLIPLIRSA-N
XLogP4.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171262023
(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261670
(1R,2S)-2-amino-2-(2-amino-5-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171270956
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol
CID 171161275
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4-dichlorophenyl)ethanol;hydrochloride
CID 171162618
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171223307
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171263151
(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol
CID 171263148
(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171270245
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol
CID 66156275
(1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171264569

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol?
The IUPAC name of (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol (CID 171262028) is (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol.
What is the SMILES notation for (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol?
The canonical SMILES for (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol is N[C@H](c1cc(Cl)ccc1Br)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol?
The InChIKey is SFFYLUKHARSLBZ-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H19BrClNO/c15-12-7-6-10(16)8-11(12)13(17)14(18)9-4-2-1-3-5-9/h6-9,13-14,18H,1-5,17H2/t13-,14+/m1/s1.
What are the key properties of (1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol?
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol has a molecular weight of 332.67 g/mol, XLogP of 4.04, 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-5-chlorophenyl)-1-cyclohexylethanol is sourced from PubChem (CID 171262028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).