1-(2-bromophenyl)-1-fluoropropan-2-amine

C9H11BrFN — CID 105490419

IUPAC1-(2-bromophenyl)-1-fluoropropan-2-amine
SMILESCC(N)C(F)c1ccccc1Br
InChIInChI=1S/C9H11BrFN/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-6,9H,12H2,1H3
InChIKeyUZFMLXQELGYKAP-UHFFFAOYSA-N
MW232.10 g/mol
LogP2.81
Rot. Bonds2

About 1-(2-bromophenyl)-1-fluoropropan-2-amine

1-(2-bromophenyl)-1-fluoropropan-2-amine (PubChem CID 105490419) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-fluoropropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-fluoropropan-2-amine
PubChem CID105490419
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name1-(2-bromophenyl)-1-fluoropropan-2-amine
SMILESCC(N)C(F)c1ccccc1Br
InChIInChI=1S/C9H11BrFN/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-6,9H,12H2,1H3
InChIKeyUZFMLXQELGYKAP-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
(2-bromophenyl)methanediamine
CID 22286781
1-bromo-2-[fluoro(phenyl)methyl]benzene
CID 71380558
(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
CID 78938611
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
1-(2-bromophenyl)ethanethiol
CID 43124084
2-amino-1-(2-bromophenyl)propane-1-sulfonic acid
CID 141352455
O-[1-(2-bromophenyl)ethyl]hydroxylamine
CID 117104899
2-amino-3-(2-bromophenyl)butan-1-ol
CID 83912818
(1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol
CID 95465505
1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 55022491

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-fluoropropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-1-fluoropropan-2-amine (CID 105490419) is 1-(2-bromophenyl)-1-fluoropropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-1-fluoropropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-1-fluoropropan-2-amine is CC(N)C(F)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-fluoropropan-2-amine?
The InChIKey is UZFMLXQELGYKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-6,9H,12H2,1H3.
What are the key properties of 1-(2-bromophenyl)-1-fluoropropan-2-amine?
1-(2-bromophenyl)-1-fluoropropan-2-amine has a molecular weight of 232.10 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-fluoropropan-2-amine is sourced from PubChem (CID 105490419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).