2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine

C13H16N2S — CID 61437146

IUPAC2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
SMILESCCN(Cc1cccs1)c1ccccc1N
InChIInChI=1S/C13H16N2S/c1-2-15(10-11-6-5-9-16-11)13-8-4-3-7-12(13)14/h3-9H,2,10,14H2,1H3
InChIKeyBTLSXIFGEZMHBS-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.36
Rot. Bonds4

About 2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine

2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine (PubChem CID 61437146) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
PubChem CID61437146
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
SMILESCCN(Cc1cccs1)c1ccccc1N
InChIInChI=1S/C13H16N2S/c1-2-15(10-11-6-5-9-16-11)13-8-4-3-7-12(13)14/h3-9H,2,10,14H2,1H3
InChIKeyBTLSXIFGEZMHBS-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61436608
4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 55190702
3-chloro-2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61436708
1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 61436988
2-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 113332691
2-N-[(3-bromothiophen-2-yl)methyl]-2-N-ethylbenzene-1,2-diamine
CID 62100839
5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine
CID 61436706
4-N-ethyl-4-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61436657
N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61437944
2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 54948094
N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
CID 115994976
N-(2-aminophenyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 62101477

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine (CID 61437146) is 2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine is CCN(Cc1cccs1)c1ccccc1N.
What is the InChIKey of 2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine?
The InChIKey is BTLSXIFGEZMHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-2-15(10-11-6-5-9-16-11)13-8-4-3-7-12(13)14/h3-9H,2,10,14H2,1H3.
What are the key properties of 2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine?
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine has a molecular weight of 232.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 61437146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).