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

C17H21N3O — CID 135458723

IUPAC5-(diethylamino)-2-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESCCN(CC)c1ccc(/C=N/Nc2ccccc2)c(O)c1
InChIInChI=1S/C17H21N3O/c1-3-20(4-2)16-11-10-14(17(21)12-16)13-18-19-15-8-6-5-7-9-15/h5-13,19,21H,3-4H2,1-2H3/b18-13+
InChIKeyVKZXHNORZJCJDH-QGOAFFKASA-N
MW283.38 g/mol
LogP3.68
Rot. Bonds6

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

5-(diethylamino)-2-[(E)-(phenylhydrazinylidene)methyl]phenol (PubChem CID 135458723) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(E)-(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(E)-(phenylhydrazinylidene)methyl]phenol
PubChem CID135458723
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-(diethylamino)-2-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESCCN(CC)c1ccc(/C=N/Nc2ccccc2)c(O)c1
InChIInChI=1S/C17H21N3O/c1-3-20(4-2)16-11-10-14(17(21)12-16)13-18-19-15-8-6-5-7-9-15/h5-13,19,21H,3-4H2,1-2H3/b18-13+
InChIKeyVKZXHNORZJCJDH-QGOAFFKASA-N
XLogP3.68
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
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

Salicylaldehyde phenylhydrazone
CID 135401296
2-(((4-(4-Chlorobenzyl)-1-piperazinyl)imino)methyl)-5-(diethylamino)phenol
CID 135470757
n'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine
CID 135433199
5-(Diethylamino)-2-{[(2,4-dimethylphenyl)imino]methyl}phenol
CID 785653
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
5-(Diethylamino)-2-({[4-(4-methylbenzyl)-1-piperazinyl]imino}methyl)phenol
CID 135501758
5-(Diethylamino)-2-({[4-(diethylamino)phenyl]imino}methyl)phenol
CID 692801
[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]thiourea
CID 135435710
2-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-5-(diethylamino)phenol
CID 135449202
(6E)-6-{[(2E)-2-{[4-(Dimethylamino)phenyl]methylidene}hydrazinyl]methylidene}cyclohexa-2,4-dien-1-one
CID 135497951
5-(Diethylamino)-2-[(phenylimino)methyl]phenol
CID 641174

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(E)-(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(E)-(phenylhydrazinylidene)methyl]phenol (CID 135458723) is 5-(diethylamino)-2-[(E)-(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(E)-(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(E)-(phenylhydrazinylidene)methyl]phenol is CCN(CC)c1ccc(/C=N/Nc2ccccc2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(E)-(phenylhydrazinylidene)methyl]phenol?
The InChIKey is VKZXHNORZJCJDH-QGOAFFKASA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-20(4-2)16-11-10-14(17(21)12-16)13-18-19-15-8-6-5-7-9-15/h5-13,19,21H,3-4H2,1-2H3/b18-13+.
What are the key properties of 5-(diethylamino)-2-[(E)-(phenylhydrazinylidene)methyl]phenol?
5-(diethylamino)-2-[(E)-(phenylhydrazinylidene)methyl]phenol has a molecular weight of 283.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(E)-(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135458723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).