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

C18H23N3O — CID 4646676

IUPAC5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol
SMILESCCN(CC)c1ccc(C=NNc2ccc(C)cc2)c(O)c1
InChIInChI=1S/C18H23N3O/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
InChIKeyZJZFJLJEUYVXQM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.99
Rot. Bonds6

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

5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol (PubChem CID 4646676) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol
PubChem CID4646676
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol
SMILESCCN(CC)c1ccc(C=NNc2ccc(C)cc2)c(O)c1
InChIInChI=1S/C18H23N3O/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
InChIKeyZJZFJLJEUYVXQM-UHFFFAOYSA-N
XLogP3.99
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.99
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

N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 136774445
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 2117929
5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 135684895
2-[(E)-[[amino(sulfanyl)methyl]hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 142921630
2-[[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 3318955
5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
CID 830890
2-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-5,6-dimethylpyridine-3,4-dicarbonitrile
CID 137296033
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
N-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]acetamide
CID 738975
5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135559916
2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135620274

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol (CID 4646676) is 5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol is CCN(CC)c1ccc(C=NNc2ccc(C)cc2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol?
The InChIKey is ZJZFJLJEUYVXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/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.
What are the key properties of 5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol?
5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol has a molecular weight of 297.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 4646676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).