2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine

C13H12BrClFNS — CID 107992805

IUPAC2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1sccc1Br)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H12BrClFNS/c1-17-12(7-13-9(14)4-5-18-13)8-2-3-10(15)11(16)6-8/h2-6,12,17H,7H2,1H3
InChIKeyFALDIVQGVZXWQA-UHFFFAOYSA-N
MW348.67 g/mol
LogP4.81
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine

2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine (PubChem CID 107992805) has the molecular formula C13H12BrClFNS and a molecular weight of 348.67 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
PubChem CID107992805
Molecular FormulaC13H12BrClFNS
Molecular Weight348.67 g/mol
Exact Mass346.95
IUPAC Name2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1sccc1Br)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H12BrClFNS/c1-17-12(7-13-9(14)4-5-18-13)8-2-3-10(15)11(16)6-8/h2-6,12,17H,7H2,1H3
InChIKeyFALDIVQGVZXWQA-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 62601801
2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 114025057
2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 62600319
1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115849229
2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 112749530
1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 114024608
1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 107994603
N-[2-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 63412597
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755175
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107994476
2-(3-bromothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115848811
1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine
CID 62066014

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine (CID 107992805) is 2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine is CNC(Cc1sccc1Br)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine?
The InChIKey is FALDIVQGVZXWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFNS/c1-17-12(7-13-9(14)4-5-18-13)8-2-3-10(15)11(16)6-8/h2-6,12,17H,7H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine?
2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine has a molecular weight of 348.67 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 107992805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).