N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine

C16H21NOS — CID 78825986

IUPACN-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCN(CCc1ccc(OC)cc1)Cc1cccs1
InChIInChI=1S/C16H21NOS/c1-3-17(13-16-5-4-12-19-16)11-10-14-6-8-15(18-2)9-7-14/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyHYIZXAAAQQQOIK-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.82
Rot. Bonds7

About N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine

N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 78825986) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID78825986
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCN(CCc1ccc(OC)cc1)Cc1cccs1
InChIInChI=1S/C16H21NOS/c1-3-17(13-16-5-4-12-19-16)11-10-14-6-8-15(18-2)9-7-14/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyHYIZXAAAQQQOIK-UHFFFAOYSA-N
XLogP3.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine
CID 61439178
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62035966
2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
CID 61439221
4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline
CID 83963038
N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 65428987
4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484257
N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347484
2-(4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733443
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
N-ethyl-N-[2-(4-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 174383768

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine (CID 78825986) is N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine is CCN(CCc1ccc(OC)cc1)Cc1cccs1.
What is the InChIKey of N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is HYIZXAAAQQQOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-17(13-16-5-4-12-19-16)11-10-14-6-8-15(18-2)9-7-14/h4-9,12H,3,10-11,13H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 78825986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).