3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline

C15H17NO3 — CID 22112878

IUPAC3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
SMILESCOc1ccccc1COc1ccc(N)cc1OC
InChIInChI=1S/C15H17NO3/c1-17-13-6-4-3-5-11(13)10-19-14-8-7-12(16)9-15(14)18-2/h3-9H,10,16H2,1-2H3
InChIKeyZXXLBGFAPRYGTD-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.87
Rot. Bonds5

About 3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline

3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline (PubChem CID 22112878) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
PubChem CID22112878
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
SMILESCOc1ccccc1COc1ccc(N)cc1OC
InChIInChI=1S/C15H17NO3/c1-17-13-6-4-3-5-11(13)10-19-14-8-7-12(16)9-15(14)18-2/h3-9H,10,16H2,1-2H3
InChIKeyZXXLBGFAPRYGTD-UHFFFAOYSA-N
XLogP2.87
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile
CID 62110948
3-methoxy-4-phenylmethoxyaniline
CID 27226
4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid
CID 106954690
3-[(2-bromophenoxy)methyl]-4-methoxyaniline
CID 43134680
2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid
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4-(1-benzothiophen-3-ylmethoxy)-3-methoxyaniline
CID 63744670
3-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305414
2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine
CID 10132592
2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline
CID 19627063
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline?
The IUPAC name of 3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline (CID 22112878) is 3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline.
What is the SMILES notation for 3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline?
The canonical SMILES for 3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline is COc1ccccc1COc1ccc(N)cc1OC.
What is the InChIKey of 3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline?
The InChIKey is ZXXLBGFAPRYGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-17-13-6-4-3-5-11(13)10-19-14-8-7-12(16)9-15(14)18-2/h3-9H,10,16H2,1-2H3.
What are the key properties of 3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline?
3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline has a molecular weight of 259.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline is sourced from PubChem (CID 22112878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).