4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline

C16H22N2S — CID 105137654

IUPAC4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline
SMILESCCNC(Cc1ccsc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-4-17-16(11-13-9-10-19-12-13)14-5-7-15(8-6-14)18(2)3/h5-10,12,16-17H,4,11H2,1-3H3
InChIKeyUKHLUQYJKGAPLB-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.71
Rot. Bonds6

About 4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline

4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline (PubChem CID 105137654) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline
PubChem CID105137654
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline
SMILESCCNC(Cc1ccsc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-4-17-16(11-13-9-10-19-12-13)14-5-7-15(8-6-14)18(2)3/h5-10,12,16-17H,4,11H2,1-3H3
InChIKeyUKHLUQYJKGAPLB-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.71
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'}

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Related Compounds

N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol
CID 65151020
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 55162373
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 115354103
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
4-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105139649
N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline
CID 61474895
4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
CID 105159159
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105164504
4-[4-[1-(ethylamino)propyl]phenyl]-N,N-dimethylaniline
CID 61025300

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline (CID 105137654) is 4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline is CCNC(Cc1ccsc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline?
The InChIKey is UKHLUQYJKGAPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-17-16(11-13-9-10-19-12-13)14-5-7-15(8-6-14)18(2)3/h5-10,12,16-17H,4,11H2,1-3H3.
What are the key properties of 4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline?
4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline has a molecular weight of 274.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105137654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).