2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine

C15H13BrF3N — CID 115844753

IUPAC2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(N)Cc2ccc(Br)cc2F)c1F
InChIInChI=1S/C15H13BrF3N/c1-8-2-5-11(17)14(15(8)19)13(20)6-9-3-4-10(16)7-12(9)18/h2-5,7,13H,6,20H2,1H3
InChIKeyHSATVULOLITNPA-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.42
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine

2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine (PubChem CID 115844753) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
PubChem CID115844753
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(N)Cc2ccc(Br)cc2F)c1F
InChIInChI=1S/C15H13BrF3N/c1-8-2-5-11(17)14(15(8)19)13(20)6-9-3-4-10(16)7-12(9)18/h2-5,7,13H,6,20H2,1H3
InChIKeyHSATVULOLITNPA-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-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115839770
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115788594
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051267
2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115848001
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105055587
2-(4-bromo-2-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 62602021
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114906223
1-(3-bromo-2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine
CID 106942346
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82814538
1-(2,6-difluoro-3-methylphenyl)hexan-1-amine
CID 115837632

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine (CID 115844753) is 2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine is Cc1ccc(F)c(C(N)Cc2ccc(Br)cc2F)c1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The InChIKey is HSATVULOLITNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-8-2-5-11(17)14(15(8)19)13(20)6-9-3-4-10(16)7-12(9)18/h2-5,7,13H,6,20H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
2-(4-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-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 115844753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).