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

C15H23NO2 — CID 62597949

IUPAC2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCc1cccc(OCCNCC2CCOC2)c1
InChIInChI=1S/C15H23NO2/c1-2-13-4-3-5-15(10-13)18-9-7-16-11-14-6-8-17-12-14/h3-5,10,14,16H,2,6-9,11-12H2,1H3
InChIKeyAPFAHMNSXGVHIP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.25
Rot. Bonds7

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

2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 62597949) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID62597949
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCc1cccc(OCCNCC2CCOC2)c1
InChIInChI=1S/C15H23NO2/c1-2-13-4-3-5-15(10-13)18-9-7-16-11-14-6-8-17-12-14/h3-5,10,14,16H,2,6-9,11-12H2,1H3
InChIKeyAPFAHMNSXGVHIP-UHFFFAOYSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.25
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

2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62583804
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61313216
2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62571173
2-(3-bromo-4-fluorophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 83235088
2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62314981
N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine
CID 62935741
2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62598290
3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599161
hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine
CID 145008745
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine
CID 62598986
3-[(oxolan-3-ylmethylamino)methyl]phenol
CID 60920792
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine (CID 62597949) is 2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine is CCc1cccc(OCCNCC2CCOC2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is APFAHMNSXGVHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-13-4-3-5-15(10-13)18-9-7-16-11-14-6-8-17-12-14/h3-5,10,14,16H,2,6-9,11-12H2,1H3.
What are the key properties of 2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62597949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).