1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine

C13H13Cl2NS — CID 103405291

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1Cl)c1scc(C)c1Cl
InChIInChI=1S/C13H13Cl2NS/c1-8-7-17-13(11(8)15)12(16-2)9-5-3-4-6-10(9)14/h3-7,12,16H,1-2H3
InChIKeyOJRWGSCKRFGIMS-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.67
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine

1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine (PubChem CID 103405291) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
PubChem CID103405291
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1Cl)c1scc(C)c1Cl
InChIInChI=1S/C13H13Cl2NS/c1-8-7-17-13(11(8)15)12(16-2)9-5-3-4-6-10(9)14/h3-7,12,16H,1-2H3
InChIKeyOJRWGSCKRFGIMS-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103405957
1-(4-bromonaphthalen-1-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 103401226
[(3-chloro-4-methylthiophen-2-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 103408548
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 103405206
1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 103401428
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 103400697
1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 103405261
[(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine
CID 103408376
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 103406327
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 103400975
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 65279769
[(3-chloro-4-methylthiophen-2-yl)-(2-fluorophenyl)methyl]hydrazine
CID 103408457

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine (CID 103405291) is 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine is CNC(c1ccccc1Cl)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine?
The InChIKey is OJRWGSCKRFGIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-8-7-17-13(11(8)15)12(16-2)9-5-3-4-6-10(9)14/h3-7,12,16H,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine?
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine has a molecular weight of 286.23 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 103405291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).