1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine

C15H13BrF3N — CID 115843743

IUPAC1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
SMILESNC(Cc1cc(F)ccc1Br)Cc1cccc(F)c1F
InChIInChI=1S/C15H13BrF3N/c16-13-5-4-11(17)6-10(13)8-12(20)7-9-2-1-3-14(18)15(9)19/h1-6,12H,7-8,20H2
InChIKeyMMGZIVISAOOYEW-UHFFFAOYSA-N
MW344.17 g/mol
LogP3.98
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine

1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine (PubChem CID 115843743) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
PubChem CID115843743
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
SMILESNC(Cc1cc(F)ccc1Br)Cc1cccc(F)c1F
InChIInChI=1S/C15H13BrF3N/c16-13-5-4-11(17)6-10(13)8-12(20)7-9-2-1-3-14(18)15(9)19/h1-6,12H,7-8,20H2
InChIKeyMMGZIVISAOOYEW-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-(5-bromo-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115839557
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078
1-(2-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
CID 102618839
1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 62601198
1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine
CID 62604665
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 107311717
1-bromo-2-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-4-fluorobenzene
CID 66041556
1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843513

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine (CID 115843743) is 1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine is NC(Cc1cc(F)ccc1Br)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine?
The InChIKey is MMGZIVISAOOYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c16-13-5-4-11(17)6-10(13)8-12(20)7-9-2-1-3-14(18)15(9)19/h1-6,12H,7-8,20H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine?
1-(2-bromo-5-fluorophenyl)-3-(2,3-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-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine is sourced from PubChem (CID 115843743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).