[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine

C12H19NO3 — CID 43471409

IUPAC[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
SMILESCCOCCOc1c(CN)cccc1OC
InChIInChI=1S/C12H19NO3/c1-3-15-7-8-16-12-10(9-13)5-4-6-11(12)14-2/h4-6H,3,7-9,13H2,1-2H3
InChIKeyVBULOFUXNQALQA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.57
Rot. Bonds7

About [2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine

[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine (PubChem CID 43471409) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
PubChem CID43471409
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
SMILESCCOCCOc1c(CN)cccc1OC
InChIInChI=1S/C12H19NO3/c1-3-15-7-8-16-12-10(9-13)5-4-6-11(12)14-2/h4-6H,3,7-9,13H2,1-2H3
InChIKeyVBULOFUXNQALQA-UHFFFAOYSA-N
XLogP1.57
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol
CID 61069210
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071
3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine
CID 54855920
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
[3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 54962092
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine
CID 54807521
1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54849867
[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
CID 54793715
3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide
CID 55061826
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 60888797

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine?
The IUPAC name of [2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine (CID 43471409) is [2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine?
The canonical SMILES for [2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine is CCOCCOc1c(CN)cccc1OC.
What is the InChIKey of [2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine?
The InChIKey is VBULOFUXNQALQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-15-7-8-16-12-10(9-13)5-4-6-11(12)14-2/h4-6H,3,7-9,13H2,1-2H3.
What are the key properties of [2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine?
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine has a molecular weight of 225.29 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine is sourced from PubChem (CID 43471409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).