2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine

C17H23NO2S — CID 106010953

IUPAC2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCOc1ccccc1OCCNCc1ccc(CC)s1
InChIInChI=1S/C17H23NO2S/c1-3-14-9-10-15(21-14)13-18-11-12-20-17-8-6-5-7-16(17)19-4-2/h5-10,18H,3-4,11-13H2,1-2H3
InChIKeyAKKUVDROORRQNF-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.88
Rot. Bonds9

About 2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine

2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 106010953) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID106010953
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCOc1ccccc1OCCNCc1ccc(CC)s1
InChIInChI=1S/C17H23NO2S/c1-3-14-9-10-15(21-14)13-18-11-12-20-17-8-6-5-7-16(17)19-4-2/h5-10,18H,3-4,11-13H2,1-2H3
InChIKeyAKKUVDROORRQNF-UHFFFAOYSA-N
XLogP3.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol
CID 114332030
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39392014
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
CID 2296532
2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39361592
N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride
CID 18793164
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 107668644
N-[2-(2-ethoxyphenoxy)ethyl]pent-3-yn-1-amine
CID 116643905
N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine
CID 107844838

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine (CID 106010953) is 2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine is CCOc1ccccc1OCCNCc1ccc(CC)s1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is AKKUVDROORRQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-3-14-9-10-15(21-14)13-18-11-12-20-17-8-6-5-7-16(17)19-4-2/h5-10,18H,3-4,11-13H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine?
2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 305.44 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 106010953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).