3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine

C14H23NO2 — CID 55093398

IUPAC3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCCc1ccccc1OCCCNCCOC
InChIInChI=1S/C14H23NO2/c1-3-13-7-4-5-8-14(13)17-11-6-9-15-10-12-16-2/h4-5,7-8,15H,3,6,9-12H2,1-2H3
InChIKeyNEJYSPTWLIJDDT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.25
Rot. Bonds9

About 3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine

3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 55093398) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
PubChem CID55093398
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
SMILESCCc1ccccc1OCCCNCCOC
InChIInChI=1S/C14H23NO2/c1-3-13-7-4-5-8-14(13)17-11-6-9-15-10-12-16-2/h4-5,7-8,15H,3,6,9-12H2,1-2H3
InChIKeyNEJYSPTWLIJDDT-UHFFFAOYSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
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

N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
CID 43364346
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
2-(2-ethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 64868119
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
2-[2-(3-methoxypropylamino)ethoxy]benzoic acid
CID 103237137
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933
N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797439
2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83156925
2-methoxy-N-[2-(2-phenylphenoxy)ethyl]ethanamine
CID 2299314
3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 106261296

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine (CID 55093398) is 3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine is CCc1ccccc1OCCCNCCOC.
What is the InChIKey of 3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is NEJYSPTWLIJDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-13-7-4-5-8-14(13)17-11-6-9-15-10-12-16-2/h4-5,7-8,15H,3,6,9-12H2,1-2H3.
What are the key properties of 3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine?
3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 55093398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).