4-methoxy-3-phenylmethoxyaniline

C14H15NO2 — CID 12547722

IUPAC4-methoxy-3-phenylmethoxyaniline
SMILESCOc1ccc(N)cc1OCc1ccccc1
InChIInChI=1S/C14H15NO2/c1-16-13-8-7-12(15)9-14(13)17-10-11-5-3-2-4-6-11/h2-9H,10,15H2,1H3
InChIKeyDTAGRANHLLXXLI-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.86
Rot. Bonds4

About 4-methoxy-3-phenylmethoxyaniline

4-methoxy-3-phenylmethoxyaniline (PubChem CID 12547722) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-methoxy-3-phenylmethoxyaniline.

Molecular Properties

Compound Name4-methoxy-3-phenylmethoxyaniline
PubChem CID12547722
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-methoxy-3-phenylmethoxyaniline
SMILESCOc1ccc(N)cc1OCc1ccccc1
InChIInChI=1S/C14H15NO2/c1-16-13-8-7-12(15)9-14(13)17-10-11-5-3-2-4-6-11/h2-9H,10,15H2,1H3
InChIKeyDTAGRANHLLXXLI-UHFFFAOYSA-N
XLogP2.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-phenylmethoxyaniline?
The IUPAC name of 4-methoxy-3-phenylmethoxyaniline (CID 12547722) is 4-methoxy-3-phenylmethoxyaniline.
What is the SMILES notation for 4-methoxy-3-phenylmethoxyaniline?
The canonical SMILES for 4-methoxy-3-phenylmethoxyaniline is COc1ccc(N)cc1OCc1ccccc1.
What is the InChIKey of 4-methoxy-3-phenylmethoxyaniline?
The InChIKey is DTAGRANHLLXXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-16-13-8-7-12(15)9-14(13)17-10-11-5-3-2-4-6-11/h2-9H,10,15H2,1H3.
What are the key properties of 4-methoxy-3-phenylmethoxyaniline?
4-methoxy-3-phenylmethoxyaniline has a molecular weight of 229.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-phenylmethoxyaniline is sourced from PubChem (CID 12547722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).