1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine

C15H13Br2F2N — CID 114906489

IUPAC1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1ccc(Br)cc1F
InChIInChI=1S/C15H13Br2F2N/c1-20-15(12-5-4-11(17)8-14(12)19)6-9-2-3-10(16)7-13(9)18/h2-5,7-8,15,20H,6H2,1H3
InChIKeyJLVJSBZKUUVWBY-UHFFFAOYSA-N
MW405.08 g/mol
LogP4.99
Rot. Bonds4

About 1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine

1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine (PubChem CID 114906489) has the molecular formula C15H13Br2F2N and a molecular weight of 405.08 g/mol. Its IUPAC name is 1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
PubChem CID114906489
Molecular FormulaC15H13Br2F2N
Molecular Weight405.08 g/mol
Exact Mass402.94
IUPAC Name1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1ccc(Br)cc1F
InChIInChI=1S/C15H13Br2F2N/c1-20-15(12-5-4-11(17)8-14(12)19)6-9-2-3-10(16)7-13(9)18/h2-5,7-8,15,20H,6H2,1H3
InChIKeyJLVJSBZKUUVWBY-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 1,2-bis(4-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-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 114906319
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115844772
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115844618
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 115844724
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 55095249
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064541
2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600239
1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 114906381
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine
CID 55186986
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 114906488
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 115839656

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine (CID 114906489) is 1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1F)c1ccc(Br)cc1F.
What is the InChIKey of 1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine?
The InChIKey is JLVJSBZKUUVWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F2N/c1-20-15(12-5-4-11(17)8-14(12)19)6-9-2-3-10(16)7-13(9)18/h2-5,7-8,15,20H,6H2,1H3.
What are the key properties of 1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine?
1,2-bis(4-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 1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 114906489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).