[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine

C17H21NO4 — CID 22683713

IUPAC[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
SMILESCOc1ccc(OCCOc2ccc(CN)cc2OC)cc1
InChIInChI=1S/C17H21NO4/c1-19-14-4-6-15(7-5-14)21-9-10-22-16-8-3-13(12-18)11-17(16)20-2/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyPILJDHWIZWFLTG-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.62
Rot. Bonds8

About [3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine

[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine (PubChem CID 22683713) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is [3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
PubChem CID22683713
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
SMILESCOc1ccc(OCCOc2ccc(CN)cc2OC)cc1
InChIInChI=1S/C17H21NO4/c1-19-14-4-6-15(7-5-14)21-9-10-22-16-8-3-13(12-18)11-17(16)20-2/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyPILJDHWIZWFLTG-UHFFFAOYSA-N
XLogP2.62
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20989786
[4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methanamine
CID 20984235
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
[3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 22687249
[4-[2-(2-bromo-4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 104706837
[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
CID 22681699
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
[4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22687113
2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22686959

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine (CID 22683713) is [3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine is COc1ccc(OCCOc2ccc(CN)cc2OC)cc1.
What is the InChIKey of [3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine?
The InChIKey is PILJDHWIZWFLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-19-14-4-6-15(7-5-14)21-9-10-22-16-8-3-13(12-18)11-17(16)20-2/h3-8,11H,9-10,12,18H2,1-2H3.
What are the key properties of [3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine?
[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine has a molecular weight of 303.36 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 22683713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).