4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline

C22H22N2O2 — CID 110508933

IUPAC4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCOc1ccc(N/N=C/c2ccccc2OCc2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O2/c1-17-7-9-18(10-8-17)16-26-22-6-4-3-5-19(22)15-23-24-20-11-13-21(25-2)14-12-20/h3-15,24H,16H2,1-2H3/b23-15+
InChIKeyMMAZFTLXYPBYGE-HZHRSRAPSA-N
MW346.43 g/mol
LogP5.03
Rot. Bonds7

About 4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline

4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 110508933) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID110508933
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCOc1ccc(N/N=C/c2ccccc2OCc2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O2/c1-17-7-9-18(10-8-17)16-26-22-6-4-3-5-19(22)15-23-24-20-11-13-21(25-2)14-12-20/h3-15,24H,16H2,1-2H3/b23-15+
InChIKeyMMAZFTLXYPBYGE-HZHRSRAPSA-N
XLogP5.03
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
3-chloro-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840263
4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136788283
N-[[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)aniline
CID 110841580
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538
N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxyaniline
CID 110508914
N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 42337280
4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3548746
2-[(2E)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339562
4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate
CID 8893950
4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline
CID 174201538

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of 4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline (CID 110508933) is 4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for 4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for 4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline is COc1ccc(N/N=C/c2ccccc2OCc2ccc(C)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is MMAZFTLXYPBYGE-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-17-7-9-18(10-8-17)16-26-22-6-4-3-5-19(22)15-23-24-20-11-13-21(25-2)14-12-20/h3-15,24H,16H2,1-2H3/b23-15+.
What are the key properties of 4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline has a molecular weight of 346.43 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 110508933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).