5-(diethylamino)-2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride

C18H24ClN3O — CID 135521589

IUPAC5-(diethylamino)-2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride
SMILESCCN(CC)c1ccc(/C=N/Nc2ccc(C)cc2)c(O)c1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-4-21(5-2)17-11-8-15(18(22)12-17)13-19-20-16-9-6-14(3)7-10-16;/h6-13,20,22H,4-5H2,1-3H3;1H/b19-13+;
InChIKeyQMVGSPCJWWJGAA-XTWSRORZSA-N
MW333.86 g/mol
LogP4.41
Rot. Bonds6

About 5-(diethylamino)-2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride

5-(diethylamino)-2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride (PubChem CID 135521589) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name5-(diethylamino)-2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride
PubChem CID135521589
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name5-(diethylamino)-2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride
SMILESCCN(CC)c1ccc(/C=N/Nc2ccc(C)cc2)c(O)c1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-4-21(5-2)17-11-8-15(18(22)12-17)13-19-20-16-9-6-14(3)7-10-16;/h6-13,20,22H,4-5H2,1-3H3;1H/b19-13+;
InChIKeyQMVGSPCJWWJGAA-XTWSRORZSA-N
XLogP4.41
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.41
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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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride?
The IUPAC name of 5-(diethylamino)-2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride (CID 135521589) is 5-(diethylamino)-2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride.
What is the SMILES notation for 5-(diethylamino)-2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride?
The canonical SMILES for 5-(diethylamino)-2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride is CCN(CC)c1ccc(/C=N/Nc2ccc(C)cc2)c(O)c1.Cl.
What is the InChIKey of 5-(diethylamino)-2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride?
The InChIKey is QMVGSPCJWWJGAA-XTWSRORZSA-N. The full InChI is InChI=1S/C18H23N3O.ClH/c1-4-21(5-2)17-11-8-15(18(22)12-17)13-19-20-16-9-6-14(3)7-10-16;/h6-13,20,22H,4-5H2,1-3H3;1H/b19-13+;.
What are the key properties of 5-(diethylamino)-2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride?
5-(diethylamino)-2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 4.41, 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)-[(4-methylphenyl)hydrazinylidene]methyl]phenol;hydrochloride is sourced from PubChem (CID 135521589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).