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

C17H21NO3 — CID 22681699

IUPAC[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
SMILESCOc1cc(CN)ccc1OCCOc1ccccc1C
InChIInChI=1S/C17H21NO3/c1-13-5-3-4-6-15(13)20-9-10-21-16-8-7-14(12-18)11-17(16)19-2/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyVWIBBVXENOOSIO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.92
Rot. Bonds7

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

[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine (PubChem CID 22681699) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
PubChem CID22681699
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
SMILESCOc1cc(CN)ccc1OCCOc1ccccc1C
InChIInChI=1S/C17H21NO3/c1-13-5-3-4-6-15(13)20-9-10-21-16-8-7-14(12-18)11-17(16)19-2/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyVWIBBVXENOOSIO-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

[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503
[4-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-methoxyphenyl]methanamine
CID 20991673
[4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methanamine
CID 20984235
[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 20993016
[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 106786180
[3-methoxy-4-(2-methylphenyl)phenyl]methanamine
CID 154814905
[3-methoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 22687249
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine (CID 22681699) is [3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine is COc1cc(CN)ccc1OCCOc1ccccc1C.
What is the InChIKey of [3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine?
The InChIKey is VWIBBVXENOOSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13-5-3-4-6-15(13)20-9-10-21-16-8-7-14(12-18)11-17(16)19-2/h3-8,11H,9-10,12,18H2,1-2H3.
What are the key properties of [3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine?
[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]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-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 22681699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).