4-methoxy-3-[(3-methylphenyl)methoxy]aniline

C15H17NO2 — CID 16792794

IUPAC4-methoxy-3-[(3-methylphenyl)methoxy]aniline
SMILESCOc1ccc(N)cc1OCc1cccc(C)c1
InChIInChI=1S/C15H17NO2/c1-11-4-3-5-12(8-11)10-18-15-9-13(16)6-7-14(15)17-2/h3-9H,10,16H2,1-2H3
InChIKeyQPSVBZQIJPUHLG-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.16
Rot. Bonds4

About 4-methoxy-3-[(3-methylphenyl)methoxy]aniline

4-methoxy-3-[(3-methylphenyl)methoxy]aniline (PubChem CID 16792794) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methoxy-3-[(3-methylphenyl)methoxy]aniline.

Molecular Properties

Compound Name4-methoxy-3-[(3-methylphenyl)methoxy]aniline
PubChem CID16792794
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-methoxy-3-[(3-methylphenyl)methoxy]aniline
SMILESCOc1ccc(N)cc1OCc1cccc(C)c1
InChIInChI=1S/C15H17NO2/c1-11-4-3-5-12(8-11)10-18-15-9-13(16)6-7-14(15)17-2/h3-9H,10,16H2,1-2H3
InChIKeyQPSVBZQIJPUHLG-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766
3-methoxy-4-phenylmethoxyaniline
CID 27226
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672
N-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 43278774
3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224
1,2,4-tris[(3-methylphenyl)methoxy]benzene
CID 139941740
2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 92925113
[4-[(3-aminophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742663
4-[(5-amino-2-methoxyphenoxy)methyl]benzamide
CID 24711094
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
1-methoxy-4-nitro-2-phenylmethoxybenzene;4-methoxy-3-phenylmethoxyaniline
CID 159845208

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(3-methylphenyl)methoxy]aniline?
The IUPAC name of 4-methoxy-3-[(3-methylphenyl)methoxy]aniline (CID 16792794) is 4-methoxy-3-[(3-methylphenyl)methoxy]aniline.
What is the SMILES notation for 4-methoxy-3-[(3-methylphenyl)methoxy]aniline?
The canonical SMILES for 4-methoxy-3-[(3-methylphenyl)methoxy]aniline is COc1ccc(N)cc1OCc1cccc(C)c1.
What is the InChIKey of 4-methoxy-3-[(3-methylphenyl)methoxy]aniline?
The InChIKey is QPSVBZQIJPUHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-4-3-5-12(8-11)10-18-15-9-13(16)6-7-14(15)17-2/h3-9H,10,16H2,1-2H3.
What are the key properties of 4-methoxy-3-[(3-methylphenyl)methoxy]aniline?
4-methoxy-3-[(3-methylphenyl)methoxy]aniline has a molecular weight of 243.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(3-methylphenyl)methoxy]aniline is sourced from PubChem (CID 16792794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).