2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine

C17H24N2OS — CID 61439178

IUPAC2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine
SMILESCCN(CCOc1ccc(CCN)cc1)Cc1cccs1
InChIInChI=1S/C17H24N2OS/c1-2-19(14-17-4-3-13-21-17)11-12-20-16-7-5-15(6-8-16)9-10-18/h3-8,13H,2,9-12,14,18H2,1H3
InChIKeyYZBXIDOYEWXDRF-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.15
Rot. Bonds9

About 2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine

2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine (PubChem CID 61439178) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine
PubChem CID61439178
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine
SMILESCCN(CCOc1ccc(CCN)cc1)Cc1cccs1
InChIInChI=1S/C17H24N2OS/c1-2-19(14-17-4-3-13-21-17)11-12-20-16-7-5-15(6-8-16)9-10-18/h3-8,13H,2,9-12,14,18H2,1H3
InChIKeyYZBXIDOYEWXDRF-UHFFFAOYSA-N
XLogP3.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
CID 61439221
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 78825986
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine
CID 43253445
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79493669
2-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]benzoic acid
CID 61436692
N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
CID 114231048
N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079435
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 78815768
N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347484

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine (CID 61439178) is 2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine is CCN(CCOc1ccc(CCN)cc1)Cc1cccs1.
What is the InChIKey of 2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine?
The InChIKey is YZBXIDOYEWXDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-2-19(14-17-4-3-13-21-17)11-12-20-16-7-5-15(6-8-16)9-10-18/h3-8,13H,2,9-12,14,18H2,1H3.
What are the key properties of 2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine?
2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine has a molecular weight of 304.46 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine is sourced from PubChem (CID 61439178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).