4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline

C13H15NS — CID 6492095

IUPAC4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(NCc2ccc(C)s2)cc1
InChIInChI=1S/C13H15NS/c1-10-3-6-12(7-4-10)14-9-13-8-5-11(2)15-13/h3-8,14H,9H2,1-2H3
InChIKeyVRHVHLUFTIXWRB-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.98
Rot. Bonds3

About 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline

4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline (PubChem CID 6492095) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
PubChem CID6492095
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(NCc2ccc(C)s2)cc1
InChIInChI=1S/C13H15NS/c1-10-3-6-12(7-4-10)14-9-13-8-5-11(2)15-13/h3-8,14H,9H2,1-2H3
InChIKeyVRHVHLUFTIXWRB-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The IUPAC name of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline (CID 6492095) is 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline is Cc1ccc(NCc2ccc(C)s2)cc1.
What is the InChIKey of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The InChIKey is VRHVHLUFTIXWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-10-3-6-12(7-4-10)14-9-13-8-5-11(2)15-13/h3-8,14H,9H2,1-2H3.
What are the key properties of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline has a molecular weight of 217.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 6492095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).