N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine

C15H20N2S — CID 113279380

IUPACN'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCCN(CC(N)c1cccs1)c1ccccc1C
InChIInChI=1S/C15H20N2S/c1-3-17(14-8-5-4-7-12(14)2)11-13(16)15-9-6-10-18-15/h4-10,13H,3,11,16H2,1-2H3
InChIKeyGRFNSMMQQMOHIK-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.58
Rot. Bonds5

About N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine

N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 113279380) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID113279380
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCCN(CC(N)c1cccs1)c1ccccc1C
InChIInChI=1S/C15H20N2S/c1-3-17(14-8-5-4-7-12(14)2)11-13(16)15-9-6-10-18-15/h4-10,13H,3,11,16H2,1-2H3
InChIKeyGRFNSMMQQMOHIK-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287798
N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
CID 43098055
1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol
CID 174382488
1-(N-ethyl-2-methylanilino)pentan-2-ol
CID 62041707
N'-ethyl-1-thiophen-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115287788
N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 63484319
1-(3-chlorophenyl)-N'-ethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63483059
2-[(N-ethyl-2-methylanilino)methyl]-3,3,3-trifluoropropanethioamide
CID 103368485
4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid
CID 82777293
1-(3,4-dimethylphenyl)-2-(N-ethyl-2-methylanilino)ethanol
CID 63473038
N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287665
N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 28770521

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine (CID 113279380) is N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine is CCN(CC(N)c1cccs1)c1ccccc1C.
What is the InChIKey of N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is GRFNSMMQQMOHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-17(14-8-5-4-7-12(14)2)11-13(16)15-9-6-10-18-15/h4-10,13H,3,11,16H2,1-2H3.
What are the key properties of N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine?
N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 260.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 113279380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).