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

C13H15NS — CID 28619767

IUPAC2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(CNc2ccccc2C)s1
InChIInChI=1S/C13H15NS/c1-10-5-3-4-6-13(10)14-9-12-8-7-11(2)15-12/h3-8,14H,9H2,1-2H3
InChIKeyVDSVYCPRHFPLON-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.98
Rot. Bonds3

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

2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline (PubChem CID 28619767) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
PubChem CID28619767
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(CNc2ccccc2C)s1
InChIInChI=1S/C13H15NS/c1-10-5-3-4-6-13(10)14-9-12-8-7-11(2)15-12/h3-8,14H,9H2,1-2H3
InChIKeyVDSVYCPRHFPLON-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

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

2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28536769
2-[(5-methylthiophen-2-yl)methylamino]benzonitrile
CID 28615853
5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 29269385
N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline
CID 29041025
N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 62056766
2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 102847704
N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 43715254
1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60664383
2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 103585292
2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 66253218
2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 43694008
N-[(5-methylthiophen-2-yl)methyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715827

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The IUPAC name of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline (CID 28619767) is 2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline is Cc1ccc(CNc2ccccc2C)s1.
What is the InChIKey of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The InChIKey is VDSVYCPRHFPLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-10-5-3-4-6-13(10)14-9-12-8-7-11(2)15-12/h3-8,14H,9H2,1-2H3.
What are the key properties of 2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
2-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 2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 28619767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).