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

C12H13NS — CID 121009843

IUPACN-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCN(Cc1cccs1)c1ccccc1
InChIInChI=1S/C12H13NS/c1-13(10-12-8-5-9-14-12)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyIKNFOBACUVBBHA-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.38
Rot. Bonds3

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

N-methyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 121009843) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is N-methyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID121009843
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC NameN-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCN(Cc1cccs1)c1ccccc1
InChIInChI=1S/C12H13NS/c1-13(10-12-8-5-9-14-12)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyIKNFOBACUVBBHA-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of N-methyl-N-(thiophen-2-ylmethyl)aniline (CID 121009843) is N-methyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for N-methyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for N-methyl-N-(thiophen-2-ylmethyl)aniline is CN(Cc1cccs1)c1ccccc1.
What is the InChIKey of N-methyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is IKNFOBACUVBBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-13(10-12-8-5-9-14-12)11-6-3-2-4-7-11/h2-9H,10H2,1H3.
What are the key properties of N-methyl-N-(thiophen-2-ylmethyl)aniline?
N-methyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 203.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 121009843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).