1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine

C13H21NO3 — CID 65369886

IUPAC1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine
SMILESCCOCOc1ccc(OC)cc1CC(C)N
InChIInChI=1S/C13H21NO3/c1-4-16-9-17-13-6-5-12(15-3)8-11(13)7-10(2)14/h5-6,8,10H,4,7,9,14H2,1-3H3
InChIKeyPMXYBDOIMUFXPP-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.96
Rot. Bonds7

About 1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine

1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine (PubChem CID 65369886) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine
PubChem CID65369886
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine
SMILESCCOCOc1ccc(OC)cc1CC(C)N
InChIInChI=1S/C13H21NO3/c1-4-16-9-17-13-6-5-12(15-3)8-11(13)7-10(2)14/h5-6,8,10H,4,7,9,14H2,1-3H3
InChIKeyPMXYBDOIMUFXPP-UHFFFAOYSA-N
XLogP1.96
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 65364769
1-[5-bromo-2-(ethoxymethoxy)phenyl]propan-2-amine
CID 65369215
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622
1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine
CID 107885471
methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate
CID 54930741
1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine
CID 113374413
1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 60906463
1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728338
3-[2-(2-aminopropyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 62325762
1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
CID 60905233
2-(ethoxymethyl)-1,4-dimethoxybenzene
CID 12068886
2-(bromomethyl)-1-(2-ethoxyethoxy)-4-methoxybenzene
CID 43457293

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine?
The IUPAC name of 1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine (CID 65369886) is 1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine is CCOCOc1ccc(OC)cc1CC(C)N.
What is the InChIKey of 1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine?
The InChIKey is PMXYBDOIMUFXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-16-9-17-13-6-5-12(15-3)8-11(13)7-10(2)14/h5-6,8,10H,4,7,9,14H2,1-3H3.
What are the key properties of 1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine?
1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 65369886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).