1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine

C16H20ClNS — CID 103400697

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1scc(C)c1Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H20ClNS/c1-9-6-10(2)13(11(3)7-9)15(18-5)16-14(17)12(4)8-19-16/h6-8,15,18H,1-5H3
InChIKeyNKVLBXLOHFQXHT-UHFFFAOYSA-N
MW293.86 g/mol
LogP4.94
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine

1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine (PubChem CID 103400697) has the molecular formula C16H20ClNS and a molecular weight of 293.86 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
PubChem CID103400697
Molecular FormulaC16H20ClNS
Molecular Weight293.86 g/mol
Exact Mass293.10
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1scc(C)c1Cl)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H20ClNS/c1-9-6-10(2)13(11(3)7-9)15(18-5)16-14(17)12(4)8-19-16/h6-8,15,18H,1-5H3
InChIKeyNKVLBXLOHFQXHT-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.86
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine 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-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 103405261
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 103406327
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 103405206
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 103405291
[(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 106682933
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 103406915
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103405957
1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 103400647
1-(4-bromonaphthalen-1-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 103401226
1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291759
5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 103400685
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 103406957

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine (CID 103400697) is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine is CNC(c1scc(C)c1Cl)c1c(C)cc(C)cc1C.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is NKVLBXLOHFQXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNS/c1-9-6-10(2)13(11(3)7-9)15(18-5)16-14(17)12(4)8-19-16/h6-8,15,18H,1-5H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 293.86 g/mol, XLogP of 4.94, 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)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 103400697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).