N-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline

C20H18N2O — CID 3091809

IUPACN-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline
SMILESCOc1ccc(C=NN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c1-23-20-14-12-17(13-15-20)16-21-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyFJNIAIVYPSEOQN-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.87
Rot. Bonds5

About N-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline

N-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline (PubChem CID 3091809) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline
PubChem CID3091809
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline
SMILESCOc1ccc(C=NN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c1-23-20-14-12-17(13-15-20)16-21-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyFJNIAIVYPSEOQN-UHFFFAOYSA-N
XLogP4.87
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline?
The IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline (CID 3091809) is N-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline.
What is the SMILES notation for N-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline?
The canonical SMILES for N-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline is COc1ccc(C=NN(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline?
The InChIKey is FJNIAIVYPSEOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-23-20-14-12-17(13-15-20)16-21-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3.
What are the key properties of N-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline?
N-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline has a molecular weight of 302.38 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methylideneamino]-N-phenylaniline is sourced from PubChem (CID 3091809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).