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

C9H11BrFN — CID 131190372

IUPAC(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
SMILESCC[C@@H](N)c1cccc(Br)c1F
InChIInChI=1S/C9H11BrFN/c1-2-8(12)6-4-3-5-7(10)9(6)11/h3-5,8H,2,12H2,1H3/t8-/m1/s1
InChIKeyBSFLSGKSRHUYIX-MRVPVSSYSA-N
MW232.10 g/mol
LogP3.00
Rot. Bonds2

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

(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine (PubChem CID 131190372) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is (1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
PubChem CID131190372
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
SMILESCC[C@@H](N)c1cccc(Br)c1F
InChIInChI=1S/C9H11BrFN/c1-2-8(12)6-4-3-5-7(10)9(6)11/h3-5,8H,2,12H2,1H3/t8-/m1/s1
InChIKeyBSFLSGKSRHUYIX-MRVPVSSYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 103692974
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(1R,2S)-1-amino-1-(3-bromo-2-fluorophenyl)butan-2-ol
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1-(3-bromo-2-fluorophenyl)-3-methylbut-3-en-1-amine
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1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
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1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine
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1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine?
The IUPAC name of (1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine (CID 131190372) is (1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine is CC[C@@H](N)c1cccc(Br)c1F.
What is the InChIKey of (1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine?
The InChIKey is BSFLSGKSRHUYIX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-2-8(12)6-4-3-5-7(10)9(6)11/h3-5,8H,2,12H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine?
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine has a molecular weight of 232.10 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 131190372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).