2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine

C15H13BrF3N — CID 115839770

IUPAC2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(N)Cc2cc(Br)ccc2F)c1F
InChIInChI=1S/C15H13BrF3N/c1-8-2-4-12(18)14(15(8)19)13(20)7-9-6-10(16)3-5-11(9)17/h2-6,13H,7,20H2,1H3
InChIKeyKPSKRLAOWLKDMH-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.42
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine

2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine (PubChem CID 115839770) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
PubChem CID115839770
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(N)Cc2cc(Br)ccc2F)c1F
InChIInChI=1S/C15H13BrF3N/c1-8-2-4-12(18)14(15(8)19)13(20)7-9-6-10(16)3-5-11(9)17/h2-6,13H,7,20H2,1H3
InChIKeyKPSKRLAOWLKDMH-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115844753
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051267
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115839764
2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115848001
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine
CID 115839362
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279246
1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115839839
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115788594
2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 115839341
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-(5-bromo-2-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103405565
1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine
CID 106942346

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine (CID 115839770) is 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine is Cc1ccc(F)c(C(N)Cc2cc(Br)ccc2F)c1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The InChIKey is KPSKRLAOWLKDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-8-2-4-12(18)14(15(8)19)13(20)7-9-6-10(16)3-5-11(9)17/h2-6,13H,7,20H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine has a molecular weight of 344.17 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 115839770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).