2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol

C24H25N3O — CID 135401259

IUPAC2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C24H25N3O/c1-3-27(4-2)22-16-15-21(23(28)17-22)18-25-26-24(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,28H,3-4H2,1-2H3/b25-18+
InChIKeyKMXMWTWCMDZJJY-XIEYBQDHSA-N
MW371.48 g/mol
LogP5.11
Rot. Bonds7

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

2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol (PubChem CID 135401259) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol.

Molecular Properties

Compound Name2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol
PubChem CID135401259
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C24H25N3O/c1-3-27(4-2)22-16-15-21(23(28)17-22)18-25-26-24(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,28H,3-4H2,1-2H3/b25-18+
InChIKeyKMXMWTWCMDZJJY-XIEYBQDHSA-N
XLogP5.11
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.11
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

2-[1-(4-Phenyl-piperazin-1-ylimino)-ethyl]-phenol
CID 135492287
2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine
CID 135433199
5-(Diethylamino)-2-{[(2,4-dimethylphenyl)imino]methyl}phenol
CID 785653
5-(Diethylamino)-2-({[4-(4-methylbenzyl)-1-piperazinyl]imino}methyl)phenol
CID 135501758
5-(diethylamino)-2-[(E)-{[4-(diethylamino)phenyl]imino}methyl]phenol
CID 692801
(6E)-6-{[(2E)-2-{[4-(Dimethylamino)phenyl]methylidene}hydrazinyl]methylidene}cyclohexa-2,4-dien-1-one
CID 135497951
2-[5-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 3716559
2-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 248317
5-(Diethylamino)-2-[(phenylimino)methyl]phenol
CID 641174
5-(Diethylamino)-2-{[(2,5-dimethylphenyl)imino]methyl}phenol
CID 687016
5-(Diethylamino)-2-({[4-(dimethylamino)phenyl]imino}methyl)phenol
CID 794739
3-[3-(4,4-Diphenylpiperidin-1-yl)propyl-methylamino]phenol
CID 90656707

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol?
The IUPAC name of 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol (CID 135401259) is 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol.
What is the SMILES notation for 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol?
The canonical SMILES for 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol is CCN(CC)c1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)c(O)c1.
What is the InChIKey of 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol?
The InChIKey is KMXMWTWCMDZJJY-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H25N3O/c1-3-27(4-2)22-16-15-21(23(28)17-22)18-25-26-24(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,28H,3-4H2,1-2H3/b25-18+.
What are the key properties of 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol?
2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol has a molecular weight of 371.48 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol is sourced from PubChem (CID 135401259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).