N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine

C16H22N2S — CID 79494017

IUPACN'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCc1ccc(NCCN(C)CCc2cccs2)cc1
InChIInChI=1S/C16H22N2S/c1-14-5-7-15(8-6-14)17-10-12-18(2)11-9-16-4-3-13-19-16/h3-8,13,17H,9-12H2,1-2H3
InChIKeyVJKGVULHXGJYAX-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.64
Rot. Bonds7

About N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine

N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 79494017) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID79494017
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCc1ccc(NCCN(C)CCc2cccs2)cc1
InChIInChI=1S/C16H22N2S/c1-14-5-7-15(8-6-14)17-10-12-18(2)11-9-16-4-3-13-19-16/h3-8,13,17H,9-12H2,1-2H3
InChIKeyVJKGVULHXGJYAX-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55090095
N'-methyl-N-(3-methylphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560213
N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494562
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
thiophen-2-ylmethyl 3-(4-methylanilino)propanoate
CID 60717468
3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
CID 63774352
2-methyl-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 78964655
4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline
CID 83963038
4-iodo-N-(2-thiophen-2-ylethyl)aniline
CID 63775663
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine (CID 79494017) is N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine is Cc1ccc(NCCN(C)CCc2cccs2)cc1.
What is the InChIKey of N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is VJKGVULHXGJYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-14-5-7-15(8-6-14)17-10-12-18(2)11-9-16-4-3-13-19-16/h3-8,13,17H,9-12H2,1-2H3.
What are the key properties of N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 274.43 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 79494017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).