3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine

C14H23NO2 — CID 55024091

IUPAC3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOc1ccccc1C
InChIInChI=1S/C14H23NO2/c1-3-16-11-6-9-15-10-12-17-14-8-5-4-7-13(14)2/h4-5,7-8,15H,3,6,9-12H2,1-2H3
InChIKeyVZISQRWUJQKFEI-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.39
Rot. Bonds9

About 3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine

3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine (PubChem CID 55024091) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
PubChem CID55024091
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOc1ccccc1C
InChIInChI=1S/C14H23NO2/c1-3-16-11-6-9-15-10-12-17-14-8-5-4-7-13(14)2/h4-5,7-8,15H,3,6,9-12H2,1-2H3
InChIKeyVZISQRWUJQKFEI-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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-methylphenoxy)ethyl]pentan-1-amine
CID 60684172
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661
3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 60689845
N-ethyl-2-[3-(2-methylphenoxy)propoxy]ethanamine
CID 82353873
N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 62571642
1-(3-ethoxypropyl)-2-methyl-3-[3-(2-methylphenoxy)propyl]guanidine;hydroiodide
CID 111782631
N-ethyl-5-(2-methylphenoxy)pentan-1-amine
CID 62452397
2-(4-ethoxybutyl)-1-ethyl-3-[2-(2-methylphenoxy)ethyl]guanidine
CID 111945973
3-ethoxy-N-(2-quinolin-8-yloxyethyl)propan-1-amine
CID 62598028
N-[2-(2-methylphenoxy)ethyl]prop-2-yn-1-amine
CID 60695074
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine
CID 107661426

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine (CID 55024091) is 3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine is CCOCCCNCCOc1ccccc1C.
What is the InChIKey of 3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine?
The InChIKey is VZISQRWUJQKFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-16-11-6-9-15-10-12-17-14-8-5-4-7-13(14)2/h4-5,7-8,15H,3,6,9-12H2,1-2H3.
What are the key properties of 3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine?
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 55024091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).