N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline

C21H20N2O — CID 555323

IUPACN-[(2-methoxy-1,2-diphenylethylidene)amino]aniline
SMILESCOC(C(=NNc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O/c1-24-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)23-22-19-15-9-4-10-16-19/h2-16,21-22H,1H3
InChIKeyHOSREFQSMFDFCV-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.89
Rot. Bonds6

About N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline

N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline (PubChem CID 555323) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline.

Molecular Properties

Compound NameN-[(2-methoxy-1,2-diphenylethylidene)amino]aniline
PubChem CID555323
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-[(2-methoxy-1,2-diphenylethylidene)amino]aniline
SMILESCOC(C(=NNc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O/c1-24-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)23-22-19-15-9-4-10-16-19/h2-16,21-22H,1H3
InChIKeyHOSREFQSMFDFCV-UHFFFAOYSA-N
XLogP4.89
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
N-[(E)-(2-diphenoxyphosphoryl-1,2-diphenylethylidene)amino]aniline
CID 12643200
4-[(2-methoxy-2-phenylacetyl)amino]benzamide
CID 2896452
N-(4-anilinophenyl)-2-methoxy-2-phenylacetamide
CID 75415396
(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide
CID 7330111
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
ethyl (2S)-2-[[(1R,2E)-1,2-diphenyl-2-(phenylhydrazinylidene)ethyl]amino]propanoate
CID 10739816
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide
CID 95633628
methyl 2-methoxy-N,2-diphenylethanimidate
CID 23264164
(2S)-2-methoxy-2-phenyl-N-pyridin-3-ylacetamide
CID 51604927
CID 59883683
CID 59883683

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline?
The IUPAC name of N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline (CID 555323) is N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline.
What is the SMILES notation for N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline?
The canonical SMILES for N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline is COC(C(=NNc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline?
The InChIKey is HOSREFQSMFDFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-24-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)23-22-19-15-9-4-10-16-19/h2-16,21-22H,1H3.
What are the key properties of N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline?
N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline has a molecular weight of 316.40 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline is sourced from PubChem (CID 555323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).