1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine

C16H17BrFN — CID 115803766

IUPAC1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2cccc(F)c2Br)cc1
InChIInChI=1S/C16H17BrFN/c1-2-11-6-8-12(9-7-11)10-15(19)13-4-3-5-14(18)16(13)17/h3-9,15H,2,10,19H2,1H3
InChIKeyBRWNVNAULXQBOE-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.39
Rot. Bonds4

About 1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine

1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine (PubChem CID 115803766) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine
PubChem CID115803766
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2cccc(F)c2Br)cc1
InChIInChI=1S/C16H17BrFN/c1-2-11-6-8-12(9-7-11)10-15(19)13-4-3-5-14(18)16(13)17/h3-9,15H,2,10,19H2,1H3
InChIKeyBRWNVNAULXQBOE-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)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-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803367
[1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105287879
[(2-bromo-3-fluorophenyl)-(4-ethylphenyl)methyl]hydrazine
CID 105292836
(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine
CID 130889083
1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine
CID 105028423
2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 115803114
2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115803857
1-(2-bromo-3-fluorophenyl)nonan-1-amine
CID 115835760
(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride
CID 171224063
1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803938
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477646

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine (CID 115803766) is 1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine is CCc1ccc(CC(N)c2cccc(F)c2Br)cc1.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine?
The InChIKey is BRWNVNAULXQBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-2-11-6-8-12(9-7-11)10-15(19)13-4-3-5-14(18)16(13)17/h3-9,15H,2,10,19H2,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine?
1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 115803766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).