2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine

C13H11BrCl2FNS — CID 107968820

IUPAC2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H11BrCl2FNS/c1-18-10(8-6-11(15)19-13(8)16)5-7-3-2-4-9(17)12(7)14/h2-4,6,10,18H,5H2,1H3
InChIKeyFSVAHAIQZOKEDR-UHFFFAOYSA-N
MW383.11 g/mol
LogP5.46
Rot. Bonds4

About 2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine

2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine (PubChem CID 107968820) has the molecular formula C13H11BrCl2FNS and a molecular weight of 383.11 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
PubChem CID107968820
Molecular FormulaC13H11BrCl2FNS
Molecular Weight383.11 g/mol
Exact Mass380.92
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H11BrCl2FNS/c1-18-10(8-6-11(15)19-13(8)16)5-7-3-2-4-9(17)12(7)14/h2-4,6,10,18H,5H2,1H3
InChIKeyFSVAHAIQZOKEDR-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.11
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-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-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 43486785
2-(3-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 107968016
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 114022091
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
N-[1-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43497800
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
1-(2,5-dichlorothiophen-3-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43486798
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 115983761
1-(2-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 107985356
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 114894692
1-(4-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066122
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
CID 105020651

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine (CID 107968820) is 2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine is CNC(Cc1cccc(F)c1Br)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine?
The InChIKey is FSVAHAIQZOKEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2FNS/c1-18-10(8-6-11(15)19-13(8)16)5-7-3-2-4-9(17)12(7)14/h2-4,6,10,18H,5H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine?
2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine has a molecular weight of 383.11 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine is sourced from PubChem (CID 107968820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).