1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine

C13H12BrCl2NS — CID 80531010

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H12BrCl2NS/c1-17-11(12-7-10(16)13(14)18-12)6-8-3-2-4-9(15)5-8/h2-5,7,11,17H,6H2,1H3
InChIKeyQWSNRNDYUOWIEY-UHFFFAOYSA-N
MW365.12 g/mol
LogP5.32
Rot. Bonds4

About 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine

1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine (PubChem CID 80531010) has the molecular formula C13H12BrCl2NS and a molecular weight of 365.12 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
PubChem CID80531010
Molecular FormulaC13H12BrCl2NS
Molecular Weight365.12 g/mol
Exact Mass362.93
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H12BrCl2NS/c1-17-11(12-7-10(16)13(14)18-12)6-8-3-2-4-9(15)5-8/h2-5,7,11,17H,6H2,1H3
InChIKeyQWSNRNDYUOWIEY-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.12
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 80531073
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)-N-methylethanamine
CID 80530733
2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 62504774
1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 80531226
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830504
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 80529067
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 80531040
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 62505102
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine
CID 102828408
2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene
CID 79997119
1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 114874548

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine (CID 80531010) is 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine?
The InChIKey is QWSNRNDYUOWIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2NS/c1-17-11(12-7-10(16)13(14)18-12)6-8-3-2-4-9(15)5-8/h2-5,7,11,17H,6H2,1H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine?
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine has a molecular weight of 365.12 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 80531010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).