1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine

C15H13BrF3N — CID 115839093

IUPAC1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
SMILESNC(Cc1cc(Br)ccc1F)Cc1c(F)cccc1F
InChIInChI=1S/C15H13BrF3N/c16-10-4-5-13(17)9(6-10)7-11(20)8-12-14(18)2-1-3-15(12)19/h1-6,11H,7-8,20H2
InChIKeyDAHYWYGAGJDECT-UHFFFAOYSA-N
MW344.17 g/mol
LogP3.98
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine

1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine (PubChem CID 115839093) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
PubChem CID115839093
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
SMILESNC(Cc1cc(Br)ccc1F)Cc1c(F)cccc1F
InChIInChI=1S/C15H13BrF3N/c16-10-4-5-13(17)9(6-10)7-11(20)8-12-14(18)2-1-3-15(12)19/h1-6,11H,7-8,20H2
InChIKeyDAHYWYGAGJDECT-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-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine
CID 63412312
1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 63024382
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115839839
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine
CID 115839362
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 65148571
1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 105131839
1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine
CID 103048411
1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine
CID 107952664
1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214921
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 105131753

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine (CID 115839093) is 1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine is NC(Cc1cc(Br)ccc1F)Cc1c(F)cccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine?
The InChIKey is DAHYWYGAGJDECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c16-10-4-5-13(17)9(6-10)7-11(20)8-12-14(18)2-1-3-15(12)19/h1-6,11H,7-8,20H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine?
1-(5-bromo-2-fluorophenyl)-3-(2,6-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-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine is sourced from PubChem (CID 115839093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).