4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline

C16H22N2S — CID 63794024

IUPAC4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(N)Cc1ccc(N(C)C(C)c2cccs2)cc1
InChIInChI=1S/C16H22N2S/c1-12(17)11-14-6-8-15(9-7-14)18(3)13(2)16-5-4-10-19-16/h4-10,12-13H,11,17H2,1-3H3
InChIKeyAGOODBIDCQDSKW-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.84
Rot. Bonds5

About 4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline

4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 63794024) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline
PubChem CID63794024
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(N)Cc1ccc(N(C)C(C)c2cccs2)cc1
InChIInChI=1S/C16H22N2S/c1-12(17)11-14-6-8-15(9-7-14)18(3)13(2)16-5-4-10-19-16/h4-10,12-13H,11,17H2,1-3H3
InChIKeyAGOODBIDCQDSKW-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.84
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-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)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-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
CID 54980639
4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile
CID 54981198
(1R)-1-[5-[methyl(1-thiophen-2-ylethyl)amino]-2-pyridinyl]ethanol
CID 83131618
1-[5-[methyl(1-thiophen-2-ylethyl)amino]-2-pyridinyl]ethanol
CID 83131534
2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 63675312
2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 55234561
5-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 80634325
1-N-methyl-1-N-(1-thiophen-2-ylethyl)hexane-1,5-diamine
CID 82853429
2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
CID 81276573
N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide
CID 117358329
2-propan-2-ylthiophene
CID 178128598
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 54980987

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline (CID 63794024) is 4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline is CC(N)Cc1ccc(N(C)C(C)c2cccs2)cc1.
What is the InChIKey of 4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is AGOODBIDCQDSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(17)11-14-6-8-15(9-7-14)18(3)13(2)16-5-4-10-19-16/h4-10,12-13H,11,17H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline?
4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 274.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 63794024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).