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

C15H19NS — CID 114997554

IUPAC1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(C)c(-c2ccc(C)c(C)c2)s1
InChIInChI=1S/C15H19NS/c1-10-5-6-13(7-11(10)2)15-12(3)8-14(17-15)9-16-4/h5-8,16H,9H2,1-4H3
InChIKeyWXNBSKMCGWMSJC-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.06
Rot. Bonds3

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

1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine (PubChem CID 114997554) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine
PubChem CID114997554
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(C)c(-c2ccc(C)c(C)c2)s1
InChIInChI=1S/C15H19NS/c1-10-5-6-13(7-11(10)2)15-12(3)8-14(17-15)9-16-4/h5-8,16H,9H2,1-4H3
InChIKeyWXNBSKMCGWMSJC-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine
CID 114997444
1-[5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine
CID 114997556
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylmethanamine
CID 61034041
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine
CID 82288036
methyl 3-amino-5-(3,4-dimethylphenyl)-4-propan-2-ylthiophene-2-carboxylate
CID 63398962
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine
CID 61032532
1-[3-(3,4-dimethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096758
1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357631
1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine
CID 43287320
methyl 2-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]acetate
CID 86241486
[4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine
CID 114997571

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine (CID 114997554) is 1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine is CNCc1cc(C)c(-c2ccc(C)c(C)c2)s1.
What is the InChIKey of 1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is WXNBSKMCGWMSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-10-5-6-13(7-11(10)2)15-12(3)8-14(17-15)9-16-4/h5-8,16H,9H2,1-4H3.
What are the key properties of 1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine?
1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 245.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 114997554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).