2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine

C13H13Cl2NS — CID 80529067

IUPAC2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1sccc1Cl
InChIInChI=1S/C13H13Cl2NS/c1-16-12(13-11(15)5-6-17-13)8-9-3-2-4-10(14)7-9/h2-7,12,16H,8H2,1H3
InChIKeyHCVQPXKWNOUYIL-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.56
Rot. Bonds4

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

2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine (PubChem CID 80529067) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
PubChem CID80529067
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC Name2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1sccc1Cl
InChIInChI=1S/C13H13Cl2NS/c1-16-12(13-11(15)5-6-17-13)8-9-3-2-4-10(14)7-9/h2-7,12,16H,8H2,1H3
InChIKeyHCVQPXKWNOUYIL-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 80529156
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 63507542
2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 63797942
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 80531010
2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105085776
N-[1-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63796209
2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 81122564
1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843408
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 62505102
1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 55095443
2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 62504774

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine (CID 80529067) is 2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine?
The InChIKey is HCVQPXKWNOUYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-16-12(13-11(15)5-6-17-13)8-9-3-2-4-10(14)7-9/h2-7,12,16H,8H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine?
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine has a molecular weight of 286.23 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 80529067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).