(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol

C9H11BrFNO — CID 131031091

IUPAC(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol
SMILESCN[C@@H](CO)c1cccc(Br)c1F
InChIInChI=1S/C9H11BrFNO/c1-12-8(5-13)6-3-2-4-7(10)9(6)11/h2-4,8,12-13H,5H2,1H3/t8-/m0/s1
InChIKeyFZUHTTNUMWNJOJ-QMMMGPOBSA-N
MW248.09 g/mol
LogP1.84
Rot. Bonds3

About (2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol

(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol (PubChem CID 131031091) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is (2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol
PubChem CID131031091
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol
SMILESCN[C@@H](CO)c1cccc(Br)c1F
InChIInChI=1S/C9H11BrFNO/c1-12-8(5-13)6-3-2-4-7(10)9(6)11/h2-4,8,12-13H,5H2,1H3/t8-/m0/s1
InChIKeyFZUHTTNUMWNJOJ-QMMMGPOBSA-N
XLogP1.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
2-bromo-6-[(1S)-2-hydroxy-1-(methylamino)ethyl]phenol
CID 130741127
(2R)-2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 130706318
2-(3-bromo-2-chlorophenyl)-2-(methylamino)ethanol
CID 130041390
2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 112704196
1-(3-bromo-2-fluorophenyl)-N-methylpent-3-yn-1-amine
CID 107952556
1-(3-bromo-2-fluorophenyl)-N-methylheptan-1-amine
CID 106648270
(2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 130642132
1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 106648190
1-(3-bromo-2-fluorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 106645629
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 106645338
1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine
CID 106647929

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol?
The IUPAC name of (2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol (CID 131031091) is (2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for (2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for (2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol is CN[C@@H](CO)c1cccc(Br)c1F.
What is the InChIKey of (2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol?
The InChIKey is FZUHTTNUMWNJOJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-12-8(5-13)6-3-2-4-7(10)9(6)11/h2-4,8,12-13H,5H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol?
(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol has a molecular weight of 248.09 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 131031091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).