2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine

C15H23NO3 — CID 62583804

IUPAC2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCOc1cccc(OCCNCC2CCOC2)c1
InChIInChI=1S/C15H23NO3/c1-2-18-14-4-3-5-15(10-14)19-9-7-16-11-13-6-8-17-12-13/h3-5,10,13,16H,2,6-9,11-12H2,1H3
InChIKeyHZBWOLMAENBUAD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.09
Rot. Bonds8

About 2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine

2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 62583804) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID62583804
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCOc1cccc(OCCNCC2CCOC2)c1
InChIInChI=1S/C15H23NO3/c1-2-18-14-4-3-5-15(10-14)19-9-7-16-11-13-6-8-17-12-13/h3-5,10,13,16H,2,6-9,11-12H2,1H3
InChIKeyHZBWOLMAENBUAD-UHFFFAOYSA-N
XLogP2.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.09
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-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62597949
2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62571173
2-(3-bromo-4-fluorophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 83235088
N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine
CID 62935741
1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362131
2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62598290
2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62573045
hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine
CID 145008745
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61313216
2-(3-chlorophenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 142231301
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine
CID 103986722

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine (CID 62583804) is 2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine is CCOc1cccc(OCCNCC2CCOC2)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is HZBWOLMAENBUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-18-14-4-3-5-15(10-14)19-9-7-16-11-13-6-8-17-12-13/h3-5,10,13,16H,2,6-9,11-12H2,1H3.
What are the key properties of 2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62583804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).