(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol

C14H19BrClNO — CID 171267801

IUPAC(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol
SMILESN[C@@H](c1ccc(Cl)c(Br)c1)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H19BrClNO/c15-11-8-10(6-7-12(11)16)13(17)14(18)9-4-2-1-3-5-9/h6-9,13-14,18H,1-5,17H2/t13-,14+/m0/s1
InChIKeyCFUMUIDKXIKVFH-UONOGXRCSA-N
MW332.67 g/mol
LogP4.04
Rot. Bonds3

About (1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol

(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol (PubChem CID 171267801) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol
PubChem CID171267801
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol
SMILESN[C@@H](c1ccc(Cl)c(Br)c1)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H19BrClNO/c15-11-8-10(6-7-12(11)16)13(17)14(18)9-4-2-1-3-5-9/h6-9,13-14,18H,1-5,17H2/t13-,14+/m0/s1
InChIKeyCFUMUIDKXIKVFH-UONOGXRCSA-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

(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171267796
(1R,2S)-2-amino-1-cyclopentyl-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 171162489
(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570
(1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol
CID 171161318
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol
CID 171261781
(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171222569
(1R,2S)-2-amino-2-(3-chloro-4-methylphenyl)-1-cyclohexylethanol
CID 171267974
(1S,2R)-2-amino-2-(4-bromo-3-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261536
(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol
CID 171162235
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol
CID 171160225
(3-bromo-4-chlorophenyl)-cyclopropylmethanol
CID 115566480

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol?
The IUPAC name of (1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol (CID 171267801) is (1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol is N[C@@H](c1ccc(Cl)c(Br)c1)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol?
The InChIKey is CFUMUIDKXIKVFH-UONOGXRCSA-N. The full InChI is InChI=1S/C14H19BrClNO/c15-11-8-10(6-7-12(11)16)13(17)14(18)9-4-2-1-3-5-9/h6-9,13-14,18H,1-5,17H2/t13-,14+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol?
(1R,2S)-2-amino-2-(3-bromo-4-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 (1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol is sourced from PubChem (CID 171267801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).