4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline

C17H24N2S — CID 63815303

IUPAC4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
SMILESCCC(N)Cc1ccc(N(CC)Cc2cccs2)cc1
InChIInChI=1S/C17H24N2S/c1-3-15(18)12-14-7-9-16(10-8-14)19(4-2)13-17-6-5-11-20-17/h5-11,15H,3-4,12-13,18H2,1-2H3
InChIKeyPGDKRFOYIQCIEL-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.05
Rot. Bonds7

About 4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline

4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 63815303) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID63815303
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
SMILESCCC(N)Cc1ccc(N(CC)Cc2cccs2)cc1
InChIInChI=1S/C17H24N2S/c1-3-15(18)12-14-7-9-16(10-8-14)19(4-2)13-17-6-5-11-20-17/h5-11,15H,3-4,12-13,18H2,1-2H3
InChIKeyPGDKRFOYIQCIEL-UHFFFAOYSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminobutyl)-N-ethyl-N-propylaniline
CID 55237765
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline
CID 63815482
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767
4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 55236806
N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
CID 61437034
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 102813648
4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 63815129
2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 170889215
4-N-ethyl-4-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61436657
2-(1-aminoethyl)-5-bromo-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 82971660
4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide
CID 115368028

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline (CID 63815303) is 4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline is CCC(N)Cc1ccc(N(CC)Cc2cccs2)cc1.
What is the InChIKey of 4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is PGDKRFOYIQCIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-15(18)12-14-7-9-16(10-8-14)19(4-2)13-17-6-5-11-20-17/h5-11,15H,3-4,12-13,18H2,1-2H3.
What are the key properties of 4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline?
4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 288.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 63815303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).