2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline

C21H21NO2 — CID 784343

IUPAC2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline
SMILESCOc1ccccc1CNc1cc(-c2ccccc2)ccc1OC
InChIInChI=1S/C21H21NO2/c1-23-20-11-7-6-10-18(20)15-22-19-14-17(12-13-21(19)24-2)16-8-4-3-5-9-16/h3-14,22H,15H2,1-2H3
InChIKeyVZUBPQBVEJJNDV-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.98
Rot. Bonds6

About 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline

2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline (PubChem CID 784343) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline.

Molecular Properties

Compound Name2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline
PubChem CID784343
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline
SMILESCOc1ccccc1CNc1cc(-c2ccccc2)ccc1OC
InChIInChI=1S/C21H21NO2/c1-23-20-11-7-6-10-18(20)15-22-19-14-17(12-13-21(19)24-2)16-8-4-3-5-9-16/h3-14,22H,15H2,1-2H3
InChIKeyVZUBPQBVEJJNDV-UHFFFAOYSA-N
XLogP4.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline?
The IUPAC name of 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline (CID 784343) is 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline.
What is the SMILES notation for 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline?
The canonical SMILES for 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline is COc1ccccc1CNc1cc(-c2ccccc2)ccc1OC.
What is the InChIKey of 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline?
The InChIKey is VZUBPQBVEJJNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-23-20-11-7-6-10-18(20)15-22-19-14-17(12-13-21(19)24-2)16-8-4-3-5-9-16/h3-14,22H,15H2,1-2H3.
What are the key properties of 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline?
2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline has a molecular weight of 319.40 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-methoxyphenyl)methyl]-5-phenylaniline is sourced from PubChem (CID 784343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).