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

C15H14BrF2N — CID 105374445

IUPAC1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1cc(Br)ccc1F
InChIInChI=1S/C15H14BrF2N/c1-9-2-4-12(17)6-10(9)7-15(19)13-8-11(16)3-5-14(13)18/h2-6,8,15H,7,19H2,1H3
InChIKeyUXGIELWCBVTGQD-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.28
Rot. Bonds3

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

1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 105374445) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID105374445
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1cc(Br)ccc1F
InChIInChI=1S/C15H14BrF2N/c1-9-2-4-12(17)6-10(9)7-15(19)13-8-11(16)3-5-14(13)18/h2-6,8,15H,7,19H2,1H3
InChIKeyUXGIELWCBVTGQD-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-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377378
2-(2-bromo-5-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanamine
CID 114894635
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279246
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114906223
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640
1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377287
4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline
CID 105377915
1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanamine
CID 43109344
1-(2,4-difluoro-5-methylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 79724685

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine (CID 105374445) is 1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine is Cc1ccc(F)cc1CC(N)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is UXGIELWCBVTGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-9-2-4-12(17)6-10(9)7-15(19)13-8-11(16)3-5-14(13)18/h2-6,8,15H,7,19H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
1-(5-bromo-2-fluorophenyl)-2-(5-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-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105374445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).