5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol

C18H23N3O — CID 135621779

IUPAC5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
SMILESCCN(CC)c1ccc(/C=N/N(C)c2ccccc2)c(O)c1
InChIInChI=1S/C18H23N3O/c1-4-21(5-2)17-12-11-15(18(22)13-17)14-19-20(3)16-9-7-6-8-10-16/h6-14,22H,4-5H2,1-3H3/b19-14+
InChIKeyRDRQLDTTYIVEBP-XMHGGMMESA-N
MW297.40 g/mol
LogP3.71
Rot. Bonds6

About 5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol

5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol (PubChem CID 135621779) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
PubChem CID135621779
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
SMILESCCN(CC)c1ccc(/C=N/N(C)c2ccccc2)c(O)c1
InChIInChI=1S/C18H23N3O/c1-4-21(5-2)17-12-11-15(18(22)13-17)14-19-20(3)16-9-7-6-8-10-16/h6-14,22H,4-5H2,1-3H3/b19-14+
InChIKeyRDRQLDTTYIVEBP-XMHGGMMESA-N
XLogP3.71
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.71
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'}

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Related Compounds

5-(diethylamino)-2-(phenyliminomethyl)phenol
CID 641174
2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135571924
N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
CID 54333940
5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol
CID 136612078
5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol
CID 136879981
2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135620274
[2-[[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]methyl]phenyl]methyl-dimethylazanium
CID 135829092
2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135710875
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2862510
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(dimethylamino)benzamide
CID 135982653
2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol
CID 142086910
5-(diethylamino)-2-[[(2S)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol
CID 155164284

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol (CID 135621779) is 5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol is CCN(CC)c1ccc(/C=N/N(C)c2ccccc2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol?
The InChIKey is RDRQLDTTYIVEBP-XMHGGMMESA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-21(5-2)17-12-11-15(18(22)13-17)14-19-20(3)16-9-7-6-8-10-16/h6-14,22H,4-5H2,1-3H3/b19-14+.
What are the key properties of 5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol?
5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol has a molecular weight of 297.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135621779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).