2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline

C13H16N2S — CID 10263363

IUPAC2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline
SMILESCNC(Cc1ccccc1N)c1cccs1
InChIInChI=1S/C13H16N2S/c1-15-12(13-7-4-8-16-13)9-10-5-2-3-6-11(10)14/h2-8,12,15H,9,14H2,1H3
InChIKeyHGRRJHIGKAOSBL-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.83
Rot. Bonds4

About 2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline

2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline (PubChem CID 10263363) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline.

Molecular Properties

Compound Name2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline
PubChem CID10263363
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline
SMILESCNC(Cc1ccccc1N)c1cccs1
InChIInChI=1S/C13H16N2S/c1-15-12(13-7-4-8-16-13)9-10-5-2-3-6-11(10)14/h2-8,12,15H,9,14H2,1H3
InChIKeyHGRRJHIGKAOSBL-UHFFFAOYSA-N
XLogP2.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline?
The IUPAC name of 2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline (CID 10263363) is 2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline.
What is the SMILES notation for 2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline?
The canonical SMILES for 2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline is CNC(Cc1ccccc1N)c1cccs1.
What is the InChIKey of 2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline?
The InChIKey is HGRRJHIGKAOSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-15-12(13-7-4-8-16-13)9-10-5-2-3-6-11(10)14/h2-8,12,15H,9,14H2,1H3.
What are the key properties of 2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline?
2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline has a molecular weight of 232.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline is sourced from PubChem (CID 10263363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).