2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine

C15H14BrF2N — CID 81279482

IUPAC2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(N)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrF2N/c1-9-6-11(17)3-4-12(9)15(19)8-10-2-5-14(18)13(16)7-10/h2-7,15H,8,19H2,1H3
InChIKeyKEKUGPYAKQBOOZ-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.28
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine

2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 81279482) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID81279482
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(N)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrF2N/c1-9-6-11(17)3-4-12(9)15(19)8-10-2-5-14(18)13(16)7-10/h2-7,15H,8,19H2,1H3
InChIKeyKEKUGPYAKQBOOZ-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

Analyze 2-(3-bromo-4-fluorophenyl)-1-(4-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

2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 115818512
1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62539465
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279246
2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 62790885
2-(3-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115818982
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
1-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylethanamine
CID 62791571
2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54971855
2-(3-bromo-4-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115819033
2-(4-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279645
[2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)ethyl]hydrazine
CID 105216503

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine (CID 81279482) is 2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1C(N)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is KEKUGPYAKQBOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-9-6-11(17)3-4-12(9)15(19)8-10-2-5-14(18)13(16)7-10/h2-7,15H,8,19H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine?
2-(3-bromo-4-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-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 81279482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).