N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline

C27H24N2O2 — CID 4065737

IUPACN-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline
SMILESCOc1ccc(C=NN(c2ccccc2)c2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C27H24N2O2/c1-30-26-18-17-23(19-27(26)31-21-22-11-5-2-6-12-22)20-28-29(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,21H2,1H3
InChIKeyBVJMXQUREXPHSU-UHFFFAOYSA-N
MW408.50 g/mol
LogP6.45
Rot. Bonds8

About N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline

N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline (PubChem CID 4065737) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline.

Molecular Properties

Compound NameN-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline
PubChem CID4065737
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline
SMILESCOc1ccc(C=NN(c2ccccc2)c2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C27H24N2O2/c1-30-26-18-17-23(19-27(26)31-21-22-11-5-2-6-12-22)20-28-29(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,21H2,1H3
InChIKeyBVJMXQUREXPHSU-UHFFFAOYSA-N
XLogP6.45
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 56.45
H-Bond Donors ≤ 50
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)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 96885458
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine
CID 4283687
N'-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6910290
(E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine
CID 6906138
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
CID 110840797
ethyl N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902975
1-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-1-(3,3,5-trimethylcyclohexyl)thiourea
CID 20849757
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
CID 5084766
4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2457929
2-chloro-4-[(E)-(diphenylhydrazinylidene)methyl]-6-methoxyphenol
CID 135755057

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline?
The IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline (CID 4065737) is N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline.
What is the SMILES notation for N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline?
The canonical SMILES for N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline is COc1ccc(C=NN(c2ccccc2)c2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline?
The InChIKey is BVJMXQUREXPHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-30-26-18-17-23(19-27(26)31-21-22-11-5-2-6-12-22)20-28-29(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,21H2,1H3.
What are the key properties of N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline?
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline has a molecular weight of 408.50 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline is sourced from PubChem (CID 4065737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).