1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine

C14H18N2S — CID 79475627

IUPAC1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
SMILESCc1ccc(N(C)CCc2cccs2)cc1N
InChIInChI=1S/C14H18N2S/c1-11-5-6-12(10-14(11)15)16(2)8-7-13-4-3-9-17-13/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyTVBLVCFGOPRGPX-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.32
Rot. Bonds4

About 1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine

1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine (PubChem CID 79475627) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
PubChem CID79475627
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
SMILESCc1ccc(N(C)CCc2cccs2)cc1N
InChIInChI=1S/C14H18N2S/c1-11-5-6-12(10-14(11)15)16(2)8-7-13-4-3-9-17-13/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyTVBLVCFGOPRGPX-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.32
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

4-N,2-dimethyl-4-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79475986
N,3-dimethyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 79488923
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 115366924
4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79493669
3-bromo-4-(bromomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 114060564
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine
CID 79470815
4-bromo-2-N-methyl-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79475851
1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine
CID 63694283
2-bromo-4-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 107276512
2-chloro-4-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79033362
1-[2-chloro-4-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanone
CID 79475572

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine (CID 79475627) is 1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine is Cc1ccc(N(C)CCc2cccs2)cc1N.
What is the InChIKey of 1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine?
The InChIKey is TVBLVCFGOPRGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11-5-6-12(10-14(11)15)16(2)8-7-13-4-3-9-17-13/h3-6,9-10H,7-8,15H2,1-2H3.
What are the key properties of 1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine?
1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine has a molecular weight of 246.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 79475627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).