1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine

C12H14N2S — CID 156902220

IUPAC1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine
SMILESNCC(N)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C12H14N2S/c13-7-12(14)10-3-1-9(2-4-10)11-5-6-15-8-11/h1-6,8,12H,7,13-14H2
InChIKeySMJXIPNQEUWBLJ-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.37
Rot. Bonds3

About 1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine

1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine (PubChem CID 156902220) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine
PubChem CID156902220
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine
SMILESNCC(N)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C12H14N2S/c13-7-12(14)10-3-1-9(2-4-10)11-5-6-15-8-11/h1-6,8,12H,7,13-14H2
InChIKeySMJXIPNQEUWBLJ-UHFFFAOYSA-N
XLogP2.37
TPSA52.04 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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine (CID 156902220) is 1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine is NCC(N)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of 1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine?
The InChIKey is SMJXIPNQEUWBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c13-7-12(14)10-3-1-9(2-4-10)11-5-6-15-8-11/h1-6,8,12H,7,13-14H2.
What are the key properties of 1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine?
1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine has a molecular weight of 218.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thiophen-3-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 156902220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).