2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine

C13H16N2S — CID 43534379

IUPAC2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
SMILESCc1cc(N)ccc1NC(C)c1cccs1
InChIInChI=1S/C13H16N2S/c1-9-8-11(14)5-6-12(9)15-10(2)13-4-3-7-16-13/h3-8,10,15H,14H2,1-2H3
InChIKeyMABJTZVEOHDYLJ-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.81
Rot. Bonds3

About 2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine

2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine (PubChem CID 43534379) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
PubChem CID43534379
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
SMILESCc1cc(N)ccc1NC(C)c1cccs1
InChIInChI=1S/C13H16N2S/c1-9-8-11(14)5-6-12(9)15-10(2)13-4-3-7-16-13/h3-8,10,15H,14H2,1-2H3
InChIKeyMABJTZVEOHDYLJ-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43093280
4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534384
2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 43534396
5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43729607
5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43109746
3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline
CID 43739048
2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 103144969
2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
CID 43682936
4-bromo-5-fluoro-2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 116735510
2-methyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-diamine
CID 55037646
3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
CID 43534380
4-amino-3-(1-thiophen-2-ylethylamino)benzoic acid
CID 82785458

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The IUPAC name of 2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine (CID 43534379) is 2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine is Cc1cc(N)ccc1NC(C)c1cccs1.
What is the InChIKey of 2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The InChIKey is MABJTZVEOHDYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-8-11(14)5-6-12(9)15-10(2)13-4-3-7-16-13/h3-8,10,15H,14H2,1-2H3.
What are the key properties of 2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine has a molecular weight of 232.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 43534379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).