2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine

C15H13BrClF2N — CID 107994476

IUPAC2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13BrClF2N/c1-20-15(10-2-3-13(17)14(19)7-10)6-9-4-11(16)8-12(18)5-9/h2-5,7-8,15,20H,6H2,1H3
InChIKeyQWBSVTPJKRSOCW-UHFFFAOYSA-N
MW360.63 g/mol
LogP4.88
Rot. Bonds4

About 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine

2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine (PubChem CID 107994476) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
PubChem CID107994476
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13BrClF2N/c1-20-15(10-2-3-13(17)14(19)7-10)6-9-4-11(16)8-12(18)5-9/h2-5,7-8,15,20H,6H2,1H3
InChIKeyQWBSVTPJKRSOCW-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.63
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-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

2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 79703082
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846
1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 107993415
2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine
CID 105015718
1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103040190
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619
1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine
CID 62066014
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 79709381
1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 114024608
1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412254
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 107892575

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine (CID 107994476) is 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)cc(Br)c1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine?
The InChIKey is QWBSVTPJKRSOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-20-15(10-2-3-13(17)14(19)7-10)6-9-4-11(16)8-12(18)5-9/h2-5,7-8,15,20H,6H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine?
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine has a molecular weight of 360.63 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 107994476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).