N-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline

C27H24N2O2 — CID 57264316

IUPACN-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline
SMILESCOc1cccc(C(=NN(c2ccccc2)c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C27H24N2O2/c1-30-25-20-12-19-24(27(25)31-2)26(21-13-6-3-7-14-21)28-29(22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-20H,1-2H3
InChIKeyGGEOGNVKSOUZRH-UHFFFAOYSA-N
MW408.50 g/mol
LogP6.29
Rot. Bonds7

About N-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline

N-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline (PubChem CID 57264316) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline.

Molecular Properties

Compound NameN-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline
PubChem CID57264316
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline
SMILESCOc1cccc(C(=NN(c2ccccc2)c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C27H24N2O2/c1-30-25-20-12-19-24(27(25)31-2)26(21-13-6-3-7-14-21)28-29(22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-20H,1-2H3
InChIKeyGGEOGNVKSOUZRH-UHFFFAOYSA-N
XLogP6.29
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 56.29
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-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine
CID 154085721
(NE)-N-[(2-methoxyphenyl)-phenylmethylidene]hydroxylamine
CID 14927109
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride
CID 106892044
phenol;1,2,3-trimethoxybenzene
CID 174871155
2,3-dimethoxybenzamide;hydrate
CID 141005510
(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 105079255
2,3,4-trimethoxy-N-methyl-N-phenylbenzamide
CID 51161127
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide
CID 24764082

Frequently Asked Questions

What is the IUPAC name of N-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline?
The IUPAC name of N-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline (CID 57264316) is N-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline.
What is the SMILES notation for N-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline?
The canonical SMILES for N-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline is COc1cccc(C(=NN(c2ccccc2)c2ccccc2)c2ccccc2)c1OC.
What is the InChIKey of N-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline?
The InChIKey is GGEOGNVKSOUZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-30-25-20-12-19-24(27(25)31-2)26(21-13-6-3-7-14-21)28-29(22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-20H,1-2H3.
What are the key properties of N-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline?
N-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline has a molecular weight of 408.50 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2,3-dimethoxyphenyl)-phenylmethylidene]amino]-N-phenylaniline is sourced from PubChem (CID 57264316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).