4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline

C18H26N2S — CID 61451157

IUPAC4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
SMILESCCNC(C)c1ccc(N(Cc2cccs2)C(C)C)cc1
InChIInChI=1S/C18H26N2S/c1-5-19-15(4)16-8-10-17(11-9-16)20(14(2)3)13-18-7-6-12-21-18/h6-12,14-15,19H,5,13H2,1-4H3
InChIKeyTZGVEGCMQGGIFW-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.83
Rot. Bonds7

About 4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline

4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 61451157) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
PubChem CID61451157
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
SMILESCCNC(C)c1ccc(N(Cc2cccs2)C(C)C)cc1
InChIInChI=1S/C18H26N2S/c1-5-19-15(4)16-8-10-17(11-9-16)20(14(2)3)13-18-7-6-12-21-18/h6-12,14-15,19H,5,13H2,1-4H3
InChIKeyTZGVEGCMQGGIFW-UHFFFAOYSA-N
XLogP4.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[1-(ethylamino)ethyl]-N-propan-2-yl-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

N-ethyl-4-[1-(propylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
CID 61437034
N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline
CID 43284571
4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 54946766
1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 43195171
4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107274799
(1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938524
5-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106971319
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686
2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808333
N-ethyl-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43286479
5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104533407
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline (CID 61451157) is 4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline is CCNC(C)c1ccc(N(Cc2cccs2)C(C)C)cc1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is TZGVEGCMQGGIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-5-19-15(4)16-8-10-17(11-9-16)20(14(2)3)13-18-7-6-12-21-18/h6-12,14-15,19H,5,13H2,1-4H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 302.49 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 61451157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).