5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol

C21H21N3O — CID 136612078

IUPAC5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol
SMILESCN(C)c1ccc(C=NN(c2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C21H21N3O/c1-23(2)20-14-13-17(21(25)15-20)16-22-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,25H,1-2H3
InChIKeyOIBGKABVENGUHS-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.63
Rot. Bonds5

About 5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol

5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol (PubChem CID 136612078) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol
PubChem CID136612078
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol
SMILESCN(C)c1ccc(C=NN(c2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C21H21N3O/c1-23(2)20-14-13-17(21(25)15-20)16-22-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,25H,1-2H3
InChIKeyOIBGKABVENGUHS-UHFFFAOYSA-N
XLogP4.63
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol 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

5-(dimethylamino)-2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135581379
5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
CID 135621779
4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N,N-diphenylaniline
CID 15044303
N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine
CID 20650331
3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one
CID 172832773
5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine
CID 161425693
2-(cyclohexyliminomethyl)-5-(dimethylamino)phenol
CID 142016020
4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline
CID 172986340
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135571924
N-[(Z)-(2-fluorophenyl)methylideneamino]-N-phenylaniline
CID 7921961
5-(diethylamino)-2-(phenyliminomethyl)phenol
CID 641174

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol?
The IUPAC name of 5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol (CID 136612078) is 5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol is CN(C)c1ccc(C=NN(c2ccccc2)c2ccccc2)c(O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol?
The InChIKey is OIBGKABVENGUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-23(2)20-14-13-17(21(25)15-20)16-22-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,25H,1-2H3.
What are the key properties of 5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol?
5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol has a molecular weight of 331.42 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 136612078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).