1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine

C12H19NO3 — CID 82000622

IUPAC1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
SMILESCCOCOc1cc(OC)ccc1C(C)N
InChIInChI=1S/C12H19NO3/c1-4-15-8-16-12-7-10(14-3)5-6-11(12)9(2)13/h5-7,9H,4,8,13H2,1-3H3
InChIKeyYMTMFMFEBDLMMO-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.09
Rot. Bonds6

About 1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine

1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine (PubChem CID 82000622) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
PubChem CID82000622
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
SMILESCCOCOc1cc(OC)ccc1C(C)N
InChIInChI=1S/C12H19NO3/c1-4-15-8-16-12-7-10(14-3)5-6-11(12)9(2)13/h5-7,9H,4,8,13H2,1-3H3
InChIKeyYMTMFMFEBDLMMO-UHFFFAOYSA-N
XLogP2.09
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.09
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

1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236
(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
CID 82000674
1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine
CID 65369886
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106450545
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
CID 113398869
(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine
CID 82001682
(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 82001145
(1R)-1-[4-methoxy-2-(2-propan-2-ylsulfanylethoxy)phenyl]ethanamine
CID 114268547
1-[2-(1-aminoethyl)-5-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114492274

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine?
The IUPAC name of 1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine (CID 82000622) is 1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine.
What is the SMILES notation for 1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine?
The canonical SMILES for 1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine is CCOCOc1cc(OC)ccc1C(C)N.
What is the InChIKey of 1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine?
The InChIKey is YMTMFMFEBDLMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-15-8-16-12-7-10(14-3)5-6-11(12)9(2)13/h5-7,9H,4,8,13H2,1-3H3.
What are the key properties of 1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine?
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine has a molecular weight of 225.29 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 82000622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).