1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol

C14H23NO3 — CID 107093297

IUPAC1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol
SMILESCCOCC(O)CNCCc1cccc(OC)c1
InChIInChI=1S/C14H23NO3/c1-3-18-11-13(16)10-15-8-7-12-5-4-6-14(9-12)17-2/h4-6,9,13,15-16H,3,7-8,10-11H2,1-2H3
InChIKeySNPJRGVGPYHQHJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.22
Rot. Bonds9

About 1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol

1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol (PubChem CID 107093297) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol
PubChem CID107093297
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol
SMILESCCOCC(O)CNCCc1cccc(OC)c1
InChIInChI=1S/C14H23NO3/c1-3-18-11-13(16)10-15-8-7-12-5-4-6-14(9-12)17-2/h4-6,9,13,15-16H,3,7-8,10-11H2,1-2H3
InChIKeySNPJRGVGPYHQHJ-UHFFFAOYSA-N
XLogP1.22
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 97356530
1-(2-ethoxyethoxy)-3-[(3-methoxyphenyl)methylamino]propan-2-ol
CID 60632288
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide
CID 107852085
1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60632107
3,3-diethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 107852059
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 62314096
1-(1-adamantylmethylamino)-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 4801616
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764
1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol
CID 63931950
1-ethoxy-3-[2-(2-fluorophenyl)ethylamino]propan-2-ol
CID 63932742

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol (CID 107093297) is 1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol is CCOCC(O)CNCCc1cccc(OC)c1.
What is the InChIKey of 1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol?
The InChIKey is SNPJRGVGPYHQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-18-11-13(16)10-15-8-7-12-5-4-6-14(9-12)17-2/h4-6,9,13,15-16H,3,7-8,10-11H2,1-2H3.
What are the key properties of 1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol?
1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 107093297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).