(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine

C9H11BrFN — CID 130682344

IUPAC(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
SMILESC[C@@H](N)Cc1cccc(Br)c1F
InChIInChI=1S/C9H11BrFN/c1-6(12)5-7-3-2-4-8(10)9(7)11/h2-4,6H,5,12H2,1H3/t6-/m1/s1
InChIKeyCLOBZXPPJZFRCE-ZCFIWIBFSA-N
MW232.10 g/mol
LogP2.48
Rot. Bonds2

About (2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine

(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine (PubChem CID 130682344) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is (2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
PubChem CID130682344
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
SMILESC[C@@H](N)Cc1cccc(Br)c1F
InChIInChI=1S/C9H11BrFN/c1-6(12)5-7-3-2-4-8(10)9(7)11/h2-4,6H,5,12H2,1H3/t6-/m1/s1
InChIKeyCLOBZXPPJZFRCE-ZCFIWIBFSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
CID 84737397
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
CID 95757294
1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine
CID 117287115
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 70699698
1-(3-bromo-2-fluorophenyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 174234166
(2S)-1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 130658227
(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine
CID 130795022
1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 117378215
3-[(2R)-2-aminopropyl]-2-bromophenol
CID 130742864
4-(2-aminopropyl)-2-bromo-3-fluorophenol
CID 117372695
1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 106269159

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine?
The IUPAC name of (2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine (CID 130682344) is (2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine is C[C@@H](N)Cc1cccc(Br)c1F.
What is the InChIKey of (2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine?
The InChIKey is CLOBZXPPJZFRCE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-6(12)5-7-3-2-4-8(10)9(7)11/h2-4,6H,5,12H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine?
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine has a molecular weight of 232.10 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 130682344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).