N-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline

C23H22N2O — CID 56946440

IUPACN-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline
SMILESC=CCOc1ccccc1/C=N/c1ccccc1N(C)c1ccccc1
InChIInChI=1S/C23H22N2O/c1-3-17-26-23-16-10-7-11-19(23)18-24-21-14-8-9-15-22(21)25(2)20-12-5-4-6-13-20/h3-16,18H,1,17H2,2H3/b24-18+
InChIKeyTWDKRBHSFWVJMW-HKOYGPOVSA-N
MW342.44 g/mol
LogP5.77
Rot. Bonds7

About N-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline

N-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline (PubChem CID 56946440) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline
PubChem CID56946440
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC NameN-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline
SMILESC=CCOc1ccccc1/C=N/c1ccccc1N(C)c1ccccc1
InChIInChI=1S/C23H22N2O/c1-3-17-26-23-16-10-7-11-19(23)18-24-21-14-8-9-15-22(21)25(2)20-12-5-4-6-13-20/h3-16,18H,1,17H2,2H3/b24-18+
InChIKeyTWDKRBHSFWVJMW-HKOYGPOVSA-N
XLogP5.77
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline (CID 56946440) is N-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline is C=CCOc1ccccc1/C=N/c1ccccc1N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline?
The InChIKey is TWDKRBHSFWVJMW-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H22N2O/c1-3-17-26-23-16-10-7-11-19(23)18-24-21-14-8-9-15-22(21)25(2)20-12-5-4-6-13-20/h3-16,18H,1,17H2,2H3/b24-18+.
What are the key properties of N-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline?
N-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline has a molecular weight of 342.44 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 56946440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).