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

C16H17BrFN — CID 105377378

IUPAC1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1cc(Br)ccc1C
InChIInChI=1S/C16H17BrFN/c1-10-4-6-14(18)7-12(10)8-16(19)15-9-13(17)5-3-11(15)2/h3-7,9,16H,8,19H2,1-2H3
InChIKeyAFFXAPSTFTVTMV-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.45
Rot. Bonds3

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

1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 105377378) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID105377378
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1cc(Br)ccc1C
InChIInChI=1S/C16H17BrFN/c1-10-4-6-14(18)7-12(10)8-16(19)15-9-13(17)5-3-11(15)2/h3-7,9,16H,8,19H2,1-2H3
InChIKeyAFFXAPSTFTVTMV-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374445
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114906223
2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
CID 105015800
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279246
1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377287
2-(2-bromo-5-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanamine
CID 114894635
4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline
CID 105377915
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanamine
CID 43109344
[1-(5-bromo-2-methylphenyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105291814

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine (CID 105377378) is 1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine is Cc1ccc(F)cc1CC(N)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is AFFXAPSTFTVTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-10-4-6-14(18)7-12(10)8-16(19)15-9-13(17)5-3-11(15)2/h3-7,9,16H,8,19H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
1-(5-bromo-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.45, 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-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105377378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).