N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline

C16H22N2S — CID 61474895

IUPACN,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline
SMILESCC(NCCc1ccsc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-13(17-10-8-14-9-11-19-12-14)15-4-6-16(7-5-15)18(2)3/h4-7,9,11-13,17H,8,10H2,1-3H3
InChIKeyVEIBPKMCDORIHT-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.71
Rot. Bonds6

About N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline

N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline (PubChem CID 61474895) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline
PubChem CID61474895
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline
SMILESCC(NCCc1ccsc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-13(17-10-8-14-9-11-19-12-14)15-4-6-16(7-5-15)18(2)3/h4-7,9,11-13,17H,8,10H2,1-3H3
InChIKeyVEIBPKMCDORIHT-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

4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
CID 54953254
4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline
CID 43758274
1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 54952781
N,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline
CID 63238583
4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline
CID 105137654
1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol
CID 65151020
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474918
N-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635758
N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine
CID 60893556
N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine
CID 62089117
1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474936

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline (CID 61474895) is N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline is CC(NCCc1ccsc1)c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline?
The InChIKey is VEIBPKMCDORIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-13(17-10-8-14-9-11-19-12-14)15-4-6-16(7-5-15)18(2)3/h4-7,9,11-13,17H,8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline?
N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline 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 N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline is sourced from PubChem (CID 61474895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).