2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine

C15H14BrF2N — CID 81279246

IUPAC2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(N)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H14BrF2N/c1-9-6-12(17)3-4-13(9)15(19)8-10-7-11(16)2-5-14(10)18/h2-7,15H,8,19H2,1H3
InChIKeyLJCMKJYPXIFFIK-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.28
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine

2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 81279246) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID81279246
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(N)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H14BrF2N/c1-9-6-12(17)3-4-13(9)15(19)8-10-7-11(16)2-5-14(10)18/h2-7,15H,8,19H2,1H3
InChIKeyLJCMKJYPXIFFIK-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114906223
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374445
2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279482
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377378
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115839770
2-(2,3-difluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279328
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methylphenyl)ethanamine
CID 105020445
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115839764
2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 104803573
2-(4-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279645

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine (CID 81279246) is 2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1C(N)Cc1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is LJCMKJYPXIFFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-9-6-12(17)3-4-13(9)15(19)8-10-7-11(16)2-5-14(10)18/h2-7,15H,8,19H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 326.18 g/mol, XLogP of 4.28, 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-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 81279246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).