5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline

C13H16N2S — CID 58723808

IUPAC5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline
SMILESCN(C)Cc1ccc(-c2cccs2)c(N)c1
InChIInChI=1S/C13H16N2S/c1-15(2)9-10-5-6-11(12(14)8-10)13-4-3-7-16-13/h3-8H,9,14H2,1-2H3
InChIKeyYVBRNZIVHBXVJI-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.06
Rot. Bonds3

About 5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline

5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline (PubChem CID 58723808) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline
PubChem CID58723808
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline
SMILESCN(C)Cc1ccc(-c2cccs2)c(N)c1
InChIInChI=1S/C13H16N2S/c1-15(2)9-10-5-6-11(12(14)8-10)13-4-3-7-16-13/h3-8H,9,14H2,1-2H3
InChIKeyYVBRNZIVHBXVJI-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
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 5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline?
The IUPAC name of 5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline (CID 58723808) is 5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline.
What is the SMILES notation for 5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline?
The canonical SMILES for 5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline is CN(C)Cc1ccc(-c2cccs2)c(N)c1.
What is the InChIKey of 5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline?
The InChIKey is YVBRNZIVHBXVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-15(2)9-10-5-6-11(12(14)8-10)13-4-3-7-16-13/h3-8H,9,14H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline?
5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline has a molecular weight of 232.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-2-thiophen-2-ylaniline is sourced from PubChem (CID 58723808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).