N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline

C22H22N2O2 — CID 169382744

IUPACN-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCOc1ccc(C=NNc2ccccc2)cc1OCc1ccccc1C
InChIInChI=1S/C22H22N2O2/c1-17-8-6-7-9-19(17)16-26-22-14-18(12-13-21(22)25-2)15-23-24-20-10-4-3-5-11-20/h3-15,24H,16H2,1-2H3
InChIKeyDEUCNSQFORAJNU-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.03
Rot. Bonds7

About N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline

N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 169382744) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID169382744
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
SMILESCOc1ccc(C=NNc2ccccc2)cc1OCc1ccccc1C
InChIInChI=1S/C22H22N2O2/c1-17-8-6-7-9-19(17)16-26-22-14-18(12-13-21(22)25-2)15-23-24-20-10-4-3-5-11-20/h3-15,24H,16H2,1-2H3
InChIKeyDEUCNSQFORAJNU-UHFFFAOYSA-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

3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110842449
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579122
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
CID 5084766
(NZ)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681827
4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
CID 110840797
N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline
CID 169382362
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110338414
N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382469
N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
CID 5348595
4-[2-methoxy-5-[(phenylhydrazinylidene)methyl]phenoxy]butanenitrile
CID 169383000
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline
CID 169383589

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline (CID 169382744) is N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline is COc1ccc(C=NNc2ccccc2)cc1OCc1ccccc1C.
What is the InChIKey of N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is DEUCNSQFORAJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-17-8-6-7-9-19(17)16-26-22-14-18(12-13-21(22)25-2)15-23-24-20-10-4-3-5-11-20/h3-15,24H,16H2,1-2H3.
What are the key properties of N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline?
N-[[4-methoxy-3-[(2-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 N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).