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

C12H14N2S — CID 43534384

IUPAC4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
SMILESCC(Nc1ccc(N)cc1)c1cccs1
InChIInChI=1S/C12H14N2S/c1-9(12-3-2-8-15-12)14-11-6-4-10(13)5-7-11/h2-9,14H,13H2,1H3
InChIKeyXNUNQXWHDIGACS-UHFFFAOYSA-N
MW218.33 g/mol
LogP3.50
Rot. Bonds3

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

4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine (PubChem CID 43534384) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
PubChem CID43534384
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
SMILESCC(Nc1ccc(N)cc1)c1cccs1
InChIInChI=1S/C12H14N2S/c1-9(12-3-2-8-15-12)14-11-6-4-10(13)5-7-11/h2-9,14H,13H2,1H3
InChIKeyXNUNQXWHDIGACS-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534379
2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 43534396
1-thiophen-2-ylethylhydrazine
CID 18071025
6-methylsulfanyl-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 115929489
3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43192817
2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81408318
4-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43686655
4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43704849
3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43191617
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine
CID 94392449
3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline
CID 43727172

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine (CID 43534384) is 4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine is CC(Nc1ccc(N)cc1)c1cccs1.
What is the InChIKey of 4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The InChIKey is XNUNQXWHDIGACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-9(12-3-2-8-15-12)14-11-6-4-10(13)5-7-11/h2-9,14H,13H2,1H3.
What are the key properties of 4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine has a molecular weight of 218.33 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 43534384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).