1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

C15H18ClNS — CID 103405261

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1scc(C)c1Cl
InChIInChI=1S/C15H18ClNS/c1-9-5-10(2)7-12(6-9)14(17-4)15-13(16)11(3)8-18-15/h5-8,14,17H,1-4H3
InChIKeyJERNZPOITWARQD-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.64
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 103405261) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID103405261
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1scc(C)c1Cl
InChIInChI=1S/C15H18ClNS/c1-9-5-10(2)7-12(6-9)14(17-4)15-13(16)11(3)8-18-15/h5-8,14,17H,1-4H3
InChIKeyJERNZPOITWARQD-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 103400697
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 103405206
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-chlorophenyl)-N-methylmethanamine
CID 103405291
1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291759
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 103406957
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-(3-propan-2-yloxyphenyl)methanamine
CID 103406915
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
1-(3-chloro-4-methylthiophen-2-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 103400647
[(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine
CID 103408376

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (CID 103405261) is 1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)cc(C)c1)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is JERNZPOITWARQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-9-5-10(2)7-12(6-9)14(17-4)15-13(16)11(3)8-18-15/h5-8,14,17H,1-4H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 279.84 g/mol, XLogP of 4.64, 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-(3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 103405261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).