1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine

C18H26N2S — CID 79472208

IUPAC1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)C(C)Cc2cccs2)c(C)c1
InChIInChI=1S/C18H26N2S/c1-13-7-8-17(14(2)10-13)18(12-19)20(4)15(3)11-16-6-5-9-21-16/h5-10,15,18H,11-12,19H2,1-4H3
InChIKeyHSVRHYHVJBVVMA-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.93
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine

1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine (PubChem CID 79472208) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
PubChem CID79472208
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)C(C)Cc2cccs2)c(C)c1
InChIInChI=1S/C18H26N2S/c1-13-7-8-17(14(2)10-13)18(12-19)20(4)15(3)11-16-6-5-9-21-16/h5-10,15,18H,11-12,19H2,1-4H3
InChIKeyHSVRHYHVJBVVMA-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79472106
1-(2,4-dimethylphenyl)-N-methyl-N-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 55000948
2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene
CID 63542068
2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79476562
N-methyl-1-pyridin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79475879
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 102839687
3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79475884
N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 43568902
4-methoxy-2-N,4-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 106675761
1-(2,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488668
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide
CID 79477086

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine (CID 79472208) is 1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine is Cc1ccc(C(CN)N(C)C(C)Cc2cccs2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
The InChIKey is HSVRHYHVJBVVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-13-7-8-17(14(2)10-13)18(12-19)20(4)15(3)11-16-6-5-9-21-16/h5-10,15,18H,11-12,19H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine has a molecular weight of 302.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 79472208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).