4-methoxy-N-[(4-methoxyphenyl)methyl]aniline

C15H17NO2 — CID 4131497

IUPAC4-methoxy-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(OC)cc2)cc1
InChIInChI=1S/C15H17NO2/c1-17-14-7-3-12(4-8-14)11-16-13-5-9-15(18-2)10-6-13/h3-10,16H,11H2,1-2H3
InChIKeyBLQPPHRONOIFIJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.32
Rot. Bonds5

About 4-methoxy-N-[(4-methoxyphenyl)methyl]aniline

4-methoxy-N-[(4-methoxyphenyl)methyl]aniline (PubChem CID 4131497) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methoxy-N-[(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(4-methoxyphenyl)methyl]aniline
PubChem CID4131497
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-methoxy-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(OC)cc2)cc1
InChIInChI=1S/C15H17NO2/c1-17-14-7-3-12(4-8-14)11-16-13-5-9-15(18-2)10-6-13/h3-10,16H,11H2,1-2H3
InChIKeyBLQPPHRONOIFIJ-UHFFFAOYSA-N
XLogP3.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-methoxy-N-[(4-methoxyphenyl)methyl]aniline (CID 4131497) is 4-methoxy-N-[(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-methoxy-N-[(4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(4-methoxyphenyl)methyl]aniline?
The InChIKey is BLQPPHRONOIFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-17-14-7-3-12(4-8-14)11-16-13-5-9-15(18-2)10-6-13/h3-10,16H,11H2,1-2H3.
What are the key properties of 4-methoxy-N-[(4-methoxyphenyl)methyl]aniline?
4-methoxy-N-[(4-methoxyphenyl)methyl]aniline has a molecular weight of 243.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 4131497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).