2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine

C15H13Br2F2N — CID 114894718

IUPAC2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Br)c1cc(Br)ccc1F
InChIInChI=1S/C15H13Br2F2N/c1-20-15(12-7-10(16)3-5-14(12)19)6-9-2-4-11(18)8-13(9)17/h2-5,7-8,15,20H,6H2,1H3
InChIKeyVYOUOSBCGGVCDK-UHFFFAOYSA-N
MW405.08 g/mol
LogP4.99
Rot. Bonds4

About 2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine

2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine (PubChem CID 114894718) has the molecular formula C15H13Br2F2N and a molecular weight of 405.08 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine
PubChem CID114894718
Molecular FormulaC15H13Br2F2N
Molecular Weight405.08 g/mol
Exact Mass402.94
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Br)c1cc(Br)ccc1F
InChIInChI=1S/C15H13Br2F2N/c1-20-15(12-7-10(16)3-5-14(12)19)6-9-2-4-11(18)8-13(9)17/h2-5,7-8,15,20H,6H2,1H3
InChIKeyVYOUOSBCGGVCDK-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.08
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine 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-(2-chloro-5-fluorophenyl)-N-methylethanamine
CID 102619427
2-(2-bromo-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63673611
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 115843072
2-(2-bromo-4-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylethanamine
CID 106691781
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine
CID 62608660
1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 114906319
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 114894692
2-(2-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)-N-methylethanamine
CID 115843230
2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 115839081
1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine (CID 114894718) is 2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1Br)c1cc(Br)ccc1F.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine?
The InChIKey is VYOUOSBCGGVCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F2N/c1-20-15(12-7-10(16)3-5-14(12)19)6-9-2-4-11(18)8-13(9)17/h2-5,7-8,15,20H,6H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine?
2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine has a molecular weight of 405.08 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 114894718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).