1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine

C15H13BrF3N — CID 115843232

IUPAC1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(F)c(F)c1)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H13BrF3N/c16-13-8-11(17)3-2-10(13)7-12(20)5-9-1-4-14(18)15(19)6-9/h1-4,6,8,12H,5,7,20H2
InChIKeyISBRZVMAFWQRTL-UHFFFAOYSA-N
MW344.17 g/mol
LogP3.98
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine

1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine (PubChem CID 115843232) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
PubChem CID115843232
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(F)c(F)c1)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H13BrF3N/c16-13-8-11(17)3-2-10(13)7-12(20)5-9-1-4-14(18)15(19)6-9/h1-4,6,8,12H,5,7,20H2
InChIKeyISBRZVMAFWQRTL-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 105051169
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117
1-(3-bromo-4-methoxyphenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115818090
1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(2,4-difluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920034
1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115802634
1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine
CID 65128193
1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 105032555
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine
CID 62329924

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine (CID 115843232) is 1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine is NC(Cc1ccc(F)c(F)c1)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine?
The InChIKey is ISBRZVMAFWQRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c16-13-8-11(17)3-2-10(13)7-12(20)5-9-1-4-14(18)15(19)6-9/h1-4,6,8,12H,5,7,20H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine?
1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine has a molecular weight of 344.17 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine is sourced from PubChem (CID 115843232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).