2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine

C16H22N2OS — CID 61439221

IUPAC2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCN(CCOc1ccc(CN)cc1)Cc1cccs1
InChIInChI=1S/C16H22N2OS/c1-2-18(13-16-4-3-11-20-16)9-10-19-15-7-5-14(12-17)6-8-15/h3-8,11H,2,9-10,12-13,17H2,1H3
InChIKeyCKQUPKSTAJGGEK-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.11
Rot. Bonds8

About 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine

2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 61439221) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID61439221
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCN(CCOc1ccc(CN)cc1)Cc1cccs1
InChIInChI=1S/C16H22N2OS/c1-2-18(13-16-4-3-11-20-16)9-10-19-15-7-5-14(12-17)6-8-15/h3-8,11H,2,9-10,12-13,17H2,1H3
InChIKeyCKQUPKSTAJGGEK-UHFFFAOYSA-N
XLogP3.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine
CID 61439178
N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 78825986
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327
2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid
CID 61436692
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-hexadecylhexadecan-1-amine
CID 12760487
N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079435
N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 55387548
N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine
CID 43588416
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-ethylaniline
CID 43253527
N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
CID 114231048

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine (CID 61439221) is 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine is CCN(CCOc1ccc(CN)cc1)Cc1cccs1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is CKQUPKSTAJGGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-2-18(13-16-4-3-11-20-16)9-10-19-15-7-5-14(12-17)6-8-15/h3-8,11H,2,9-10,12-13,17H2,1H3.
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine?
2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 61439221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).