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

C12H14N2S — CID 43534396

IUPAC2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
SMILESCC(Nc1ccccc1N)c1cccs1
InChIInChI=1S/C12H14N2S/c1-9(12-7-4-8-15-12)14-11-6-3-2-5-10(11)13/h2-9,14H,13H2,1H3
InChIKeyLSPMQWDBYHOXJM-UHFFFAOYSA-N
MW218.33 g/mol
LogP3.50
Rot. Bonds3

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

2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine (PubChem CID 43534396) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
PubChem CID43534396
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
SMILESCC(Nc1ccccc1N)c1cccs1
InChIInChI=1S/C12H14N2S/c1-9(12-7-4-8-15-12)14-11-6-3-2-5-10(11)13/h2-9,14H,13H2,1H3
InChIKeyLSPMQWDBYHOXJM-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
CID 43682936
3-methylsulfonyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 82003449
4-amino-3-(1-thiophen-2-ylethylamino)benzoic acid
CID 82785458
2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534379
2-propoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43682309
4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534384
methyl 4-amino-3-(1-thiophen-2-ylethylamino)benzoate
CID 82785539
4-bromo-5-fluoro-2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 116735510
3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
CID 43534380
1-thiophen-2-ylethylhydrazine
CID 18071025
2-methoxy-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43721891
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine (CID 43534396) is 2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine is CC(Nc1ccccc1N)c1cccs1.
What is the InChIKey of 2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine?
The InChIKey is LSPMQWDBYHOXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-9(12-7-4-8-15-12)14-11-6-3-2-5-10(11)13/h2-9,14H,13H2,1H3.
What are the key properties of 2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine?
2-N-(1-thiophen-2-ylethyl)benzene-1,2-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 2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 43534396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).