5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline

C17H21NO3 — CID 82097157

IUPAC5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline
SMILESCOc1ccc(OCCCOc2cccc(C)c2)c(N)c1
InChIInChI=1S/C17H21NO3/c1-13-5-3-6-15(11-13)20-9-4-10-21-17-8-7-14(19-2)12-16(17)18/h3,5-8,11-12H,4,9-10,18H2,1-2H3
InChIKeyBZJTYISUTKDEEB-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.43
Rot. Bonds7

About 5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline

5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline (PubChem CID 82097157) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline.

Molecular Properties

Compound Name5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline
PubChem CID82097157
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline
SMILESCOc1ccc(OCCCOc2cccc(C)c2)c(N)c1
InChIInChI=1S/C17H21NO3/c1-13-5-3-6-15(11-13)20-9-4-10-21-17-8-7-14(19-2)12-16(17)18/h3,5-8,11-12H,4,9-10,18H2,1-2H3
InChIKeyBZJTYISUTKDEEB-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[4-(3-methylphenoxy)butoxy]aniline
CID 82097281
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline
CID 39427298
5-methyl-2-(3-phenoxypropoxy)aniline
CID 62056343
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
5-methoxy-2-nonoxyaniline
CID 43128995
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
5-[3-(2,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097167
2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol
CID 91322801
2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline
CID 39361246
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline?
The IUPAC name of 5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline (CID 82097157) is 5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline.
What is the SMILES notation for 5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline?
The canonical SMILES for 5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline is COc1ccc(OCCCOc2cccc(C)c2)c(N)c1.
What is the InChIKey of 5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline?
The InChIKey is BZJTYISUTKDEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13-5-3-6-15(11-13)20-9-4-10-21-17-8-7-14(19-2)12-16(17)18/h3,5-8,11-12H,4,9-10,18H2,1-2H3.
What are the key properties of 5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline?
5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline has a molecular weight of 287.36 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline is sourced from PubChem (CID 82097157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).