(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine

C9H11BrFN — CID 71270516

IUPAC(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
SMILESC[C@H](N)Cc1cc(F)ccc1Br
InChIInChI=1S/C9H11BrFN/c1-6(12)4-7-5-8(11)2-3-9(7)10/h2-3,5-6H,4,12H2,1H3/t6-/m0/s1
InChIKeyHTACZPWEZNGXGV-LURJTMIESA-N
MW232.10 g/mol
LogP2.48
Rot. Bonds2

About (2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine

(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine (PubChem CID 71270516) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is (2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
PubChem CID71270516
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
SMILESC[C@H](N)Cc1cc(F)ccc1Br
InChIInChI=1S/C9H11BrFN/c1-6(12)4-7-5-8(11)2-3-9(7)10/h2-3,5-6H,4,12H2,1H3/t6-/m0/s1
InChIKeyHTACZPWEZNGXGV-LURJTMIESA-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

3-[(2-bromo-5-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 62915813
1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine
CID 62604665
1-(2,5-dibromophenyl)propan-2-amine
CID 84739331
1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078
1-[(2-bromo-5-fluorophenyl)methylsulfanyl]propan-2-amine
CID 66217735
(2R)-1-(2-bromo-5-iodophenyl)propan-2-amine
CID 130617491
2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115843812
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
CID 62606118
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
1-(2-bromo-5-fluorophenyl)-3-tert-butylsulfanylpropan-2-amine
CID 65132660
2-(2-bromo-5-fluorophenyl)-1-(1-methylcyclopentyl)ethanamine
CID 115843507

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine?
The IUPAC name of (2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine (CID 71270516) is (2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine.
What is the SMILES notation for (2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine?
The canonical SMILES for (2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine is C[C@H](N)Cc1cc(F)ccc1Br.
What is the InChIKey of (2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine?
The InChIKey is HTACZPWEZNGXGV-LURJTMIESA-N. The full InChI is InChI=1S/C9H11BrFN/c1-6(12)4-7-5-8(11)2-3-9(7)10/h2-3,5-6H,4,12H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine?
(2S)-1-(2-bromo-5-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 (2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine is sourced from PubChem (CID 71270516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).