N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine

C17H24N2S — CID 62347355

IUPACN-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(CC)c2cccc(C)c2)s1
InChIInChI=1S/C17H24N2S/c1-4-15-9-10-17(20-15)16(12-18)19(5-2)14-8-6-7-13(3)11-14/h6-11,16H,4-5,12,18H2,1-3H3
InChIKeyQOBCEWCDGPDTKW-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.15
Rot. Bonds6

About N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine

N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 62347355) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID62347355
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(CC)c2cccc(C)c2)s1
InChIInChI=1S/C17H24N2S/c1-4-15-9-10-17(20-15)16(12-18)19(5-2)14-8-6-7-13(3)11-14/h6-11,16H,4-5,12,18H2,1-3H3
InChIKeyQOBCEWCDGPDTKW-UHFFFAOYSA-N
XLogP4.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 61077098
N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 61076579
N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
CID 61076742
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
1-(5-ethylthiophen-2-yl)-N,N-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869418
1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 62345206
4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide
CID 66428621
[1-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105284996
N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632774
1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 79483443
3-[[2-amino-1-(5-methylthiophen-2-yl)ethyl]-methylamino]benzonitrile
CID 62971993
N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
CID 21484944

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine (CID 62347355) is N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine is CCc1ccc(C(CN)N(CC)c2cccc(C)c2)s1.
What is the InChIKey of N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is QOBCEWCDGPDTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-15-9-10-17(20-15)16(12-18)19(5-2)14-8-6-7-13(3)11-14/h6-11,16H,4-5,12,18H2,1-3H3.
What are the key properties of N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine?
N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 288.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62347355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).