[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine

C17H21NO3 — CID 107655709

IUPAC[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
SMILESCOc1ccc(OCCOc2cc(CN)ccc2C)cc1
InChIInChI=1S/C17H21NO3/c1-13-3-4-14(12-18)11-17(13)21-10-9-20-16-7-5-15(19-2)6-8-16/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyGROWOSQDUWVQBL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.92
Rot. Bonds7

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

[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine (PubChem CID 107655709) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
PubChem CID107655709
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
SMILESCOc1ccc(OCCOc2cc(CN)ccc2C)cc1
InChIInChI=1S/C17H21NO3/c1-13-3-4-14(12-18)11-17(13)21-10-9-20-16-7-5-15(19-2)6-8-16/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyGROWOSQDUWVQBL-UHFFFAOYSA-N
XLogP2.92
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.92
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-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713
[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 20988768
[4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine
CID 102980810
[3-(3-methoxypropoxy)-4-methylphenyl]methanamine
CID 107655823
[4-[2-(2-bromo-4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 104706837
[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20989786
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol
CID 107655616
[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
CID 22681699
[4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methanamine
CID 20984235
[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
CID 54934427
[4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 107655968

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine?
The IUPAC name of [3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine (CID 107655709) is [3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine.
What is the SMILES notation for [3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine?
The canonical SMILES for [3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine is COc1ccc(OCCOc2cc(CN)ccc2C)cc1.
What is the InChIKey of [3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine?
The InChIKey is GROWOSQDUWVQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13-3-4-14(12-18)11-17(13)21-10-9-20-16-7-5-15(19-2)6-8-16/h3-8,11H,9-10,12,18H2,1-2H3.
What are the key properties of [3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine?
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine is sourced from PubChem (CID 107655709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).