2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine

C15H19NOS — CID 39361592

IUPAC2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCc1ccccc1OCCNCc1cccs1
InChIInChI=1S/C15H19NOS/c1-2-13-6-3-4-8-15(13)17-10-9-16-12-14-7-5-11-18-14/h3-8,11,16H,2,9-10,12H2,1H3
InChIKeyOCVGBIVHABOFKM-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.48
Rot. Bonds7

About 2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine

2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 39361592) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID39361592
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCc1ccccc1OCCNCc1cccs1
InChIInChI=1S/C15H19NOS/c1-2-13-6-3-4-8-15(13)17-10-9-16-12-14-7-5-11-18-14/h3-8,11,16H,2,9-10,12H2,1H3
InChIKeyOCVGBIVHABOFKM-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54798960
N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
CID 43364346
2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39381817
3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 55093398
2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 59054295
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62599304
2-(5-methyl-2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 54798989
2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62597441
N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82423840
2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride
CID 23291473

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine (CID 39361592) is 2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine is CCc1ccccc1OCCNCc1cccs1.
What is the InChIKey of 2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is OCVGBIVHABOFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-2-13-6-3-4-8-15(13)17-10-9-16-12-14-7-5-11-18-14/h3-8,11,16H,2,9-10,12H2,1H3.
What are the key properties of 2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine?
2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 39361592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).