2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline

C16H22N2S — CID 43528292

IUPAC2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline
SMILESCCNC(C)c1ccccc1N(C)Cc1ccsc1
InChIInChI=1S/C16H22N2S/c1-4-17-13(2)15-7-5-6-8-16(15)18(3)11-14-9-10-19-12-14/h5-10,12-13,17H,4,11H2,1-3H3
InChIKeyQKDYBMBHBGYQQS-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.05
Rot. Bonds6

About 2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline

2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline (PubChem CID 43528292) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline
PubChem CID43528292
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline
SMILESCCNC(C)c1ccccc1N(C)Cc1ccsc1
InChIInChI=1S/C16H22N2S/c1-4-17-13(2)15-7-5-6-8-16(15)18(3)11-14-9-10-19-12-14/h5-10,12-13,17H,4,11H2,1-3H3
InChIKeyQKDYBMBHBGYQQS-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43284520
N-benzyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284092
N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline
CID 63059318
5-[1-(ethylamino)ethyl]-N,4-dimethyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62751781
4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol
CID 113499650
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 105415203
1-[2-[1-(ethylamino)ethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 54994046
N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078733
N-ethyl-N'-methyl-1-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612447
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55189238
N-ethyl-2-[1-(ethylamino)ethyl]-N-phenylaniline
CID 43284278

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline (CID 43528292) is 2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline is CCNC(C)c1ccccc1N(C)Cc1ccsc1.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is QKDYBMBHBGYQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-17-13(2)15-7-5-6-8-16(15)18(3)11-14-9-10-19-12-14/h5-10,12-13,17H,4,11H2,1-3H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline?
2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 274.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 43528292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).