4-methyl-N-(thiophen-2-ylmethyl)aniline

C12H13NS — CID 914053

IUPAC4-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCc1ccc(NCc2cccs2)cc1
InChIInChI=1S/C12H13NS/c1-10-4-6-11(7-5-10)13-9-12-3-2-8-14-12/h2-8,13H,9H2,1H3
InChIKeyPDNXNLGGICRAGY-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.67
Rot. Bonds3

About 4-methyl-N-(thiophen-2-ylmethyl)aniline

4-methyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 914053) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 4-methyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID914053
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name4-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCc1ccc(NCc2cccs2)cc1
InChIInChI=1S/C12H13NS/c1-10-4-6-11(7-5-10)13-9-12-3-2-8-14-12/h2-8,13H,9H2,1H3
InChIKeyPDNXNLGGICRAGY-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-methyl-N-(thiophen-2-ylmethyl)aniline (CID 914053) is 4-methyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-methyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-methyl-N-(thiophen-2-ylmethyl)aniline is Cc1ccc(NCc2cccs2)cc1.
What is the InChIKey of 4-methyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is PDNXNLGGICRAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-10-4-6-11(7-5-10)13-9-12-3-2-8-14-12/h2-8,13H,9H2,1H3.
What are the key properties of 4-methyl-N-(thiophen-2-ylmethyl)aniline?
4-methyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 203.31 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 914053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).