(2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol

C9H11BrClNO — CID 130740818

IUPAC(2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol
SMILESCN[C@@H](CO)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H11BrClNO/c1-12-9(5-13)6-2-3-7(10)8(11)4-6/h2-4,9,12-13H,5H2,1H3/t9-/m0/s1
InChIKeyATSITYDOFHFMRC-VIFPVBQESA-N
MW264.55 g/mol
LogP2.36
Rot. Bonds3

About (2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol

(2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol (PubChem CID 130740818) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is (2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name(2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol
PubChem CID130740818
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name(2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol
SMILESCN[C@@H](CO)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H11BrClNO/c1-12-9(5-13)6-2-3-7(10)8(11)4-6/h2-4,9,12-13H,5H2,1H3/t9-/m0/s1
InChIKeyATSITYDOFHFMRC-VIFPVBQESA-N
XLogP2.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethanol
CID 115563179
1-(4-bromo-3-chlorophenyl)-N-methylpent-4-en-1-amine
CID 104987729
1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 81294947
1-(4-bromo-3-chlorophenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115863277
2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol
CID 114077187
(1S)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130663868
(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130690836
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 103052923
1-(4-bromo-3-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81296013
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810390
2-(methylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 54776090

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol?
The IUPAC name of (2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol (CID 130740818) is (2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for (2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for (2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol is CN[C@@H](CO)c1ccc(Br)c(Cl)c1.
What is the InChIKey of (2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol?
The InChIKey is ATSITYDOFHFMRC-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11BrClNO/c1-12-9(5-13)6-2-3-7(10)8(11)4-6/h2-4,9,12-13H,5H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol?
(2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol has a molecular weight of 264.55 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 130740818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).