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

C15H14BrF2N — CID 114906223

IUPAC1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1ccc(Br)cc1F
InChIInChI=1S/C15H14BrF2N/c1-9-6-12(17)4-2-10(9)7-15(19)13-5-3-11(16)8-14(13)18/h2-6,8,15H,7,19H2,1H3
InChIKeyIUFNBBPXRIUIQU-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.28
Rot. Bonds3

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

1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 114906223) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID114906223
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1ccc(Br)cc1F
InChIInChI=1S/C15H14BrF2N/c1-9-6-12(17)4-2-10(9)7-15(19)13-5-3-11(16)8-14(13)18/h2-6,8,15H,7,19H2,1H3
InChIKeyIUFNBBPXRIUIQU-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

2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279246
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374445
1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377378
1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 114906230
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050988
1-(4-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446075
2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115840484
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 107982860
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-4-fluorophenyl)ethanamine
CID 105037980
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine (CID 114906223) is 1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1CC(N)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is IUFNBBPXRIUIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-9-6-12(17)4-2-10(9)7-15(19)13-5-3-11(16)8-14(13)18/h2-6,8,15H,7,19H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
1-(4-bromo-2-fluorophenyl)-2-(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 1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 114906223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).