4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline

C15H20N2S — CID 79493669

IUPAC4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCN(CCc1cccs1)c1ccc(CCN)cc1
InChIInChI=1S/C15H20N2S/c1-17(11-9-15-3-2-12-18-15)14-6-4-13(5-7-14)8-10-16/h2-7,12H,8-11,16H2,1H3
InChIKeyZRAZMQGOCHVHLA-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.93
Rot. Bonds6

About 4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline

4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 79493669) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
PubChem CID79493669
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCN(CCc1cccs1)c1ccc(CCN)cc1
InChIInChI=1S/C15H20N2S/c1-17(11-9-15-3-2-12-18-15)14-6-4-13(5-7-14)8-10-16/h2-7,12H,8-11,16H2,1H3
InChIKeyZRAZMQGOCHVHLA-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 81166020
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 115366924
4-N,2-dimethyl-4-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79475986
1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
CID 79475627
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470640
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine
CID 79470815
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide
CID 113320985
2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 113319885
6-(1-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 83127479
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784582

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline (CID 79493669) is 4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline is CN(CCc1cccs1)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is ZRAZMQGOCHVHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-17(11-9-15-3-2-12-18-15)14-6-4-13(5-7-14)8-10-16/h2-7,12H,8-11,16H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 260.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 79493669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).