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

C15H14BrF2N — CID 106644707

IUPAC1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(N)(c1ccccc1F)c1cccc(Br)c1F
InChIInChI=1S/C15H14BrF2N/c1-2-15(19,10-6-3-4-9-13(10)17)11-7-5-8-12(16)14(11)18/h3-9H,2,19H2,1H3
InChIKeyVPXBPOXWJXJTKZ-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.34
Rot. Bonds3

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

1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine (PubChem CID 106644707) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
PubChem CID106644707
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(N)(c1ccccc1F)c1cccc(Br)c1F
InChIInChI=1S/C15H14BrF2N/c1-2-15(19,10-6-3-4-9-13(10)17)11-7-5-8-12(16)14(11)18/h3-9H,2,19H2,1H3
InChIKeyVPXBPOXWJXJTKZ-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
CID 106761671
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine
CID 115996414
1-(3-bromo-2-fluorophenyl)-1-phenylbutan-1-amine
CID 106644665
2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 117047799
2-(3-bromo-2-fluorophenyl)-1-methoxybutan-2-amine
CID 106644681
1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine
CID 62500949
1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 115996402
2-(2,3-difluorophenyl)butan-2-amine
CID 63988805
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
1-(5-bromo-2-fluorophenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996357
2-(3-bromo-2-fluorophenyl)pentan-2-ol
CID 106644500

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine (CID 106644707) is 1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine is CCC(N)(c1ccccc1F)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is VPXBPOXWJXJTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-2-15(19,10-6-3-4-9-13(10)17)11-7-5-8-12(16)14(11)18/h3-9H,2,19H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine?
1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 326.18 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 106644707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).