5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol

C17H19N5O5 — CID 135559916

IUPAC5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
SMILESCCN(CC)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C17H19N5O5/c1-3-20(4-2)13-6-5-12(17(23)10-13)11-18-19-15-8-7-14(21(24)25)9-16(15)22(26)27/h5-11,19,23H,3-4H2,1-2H3/b18-11+
InChIKeyMXTPZPVHGMJYKM-WOJGMQOQSA-N
MW373.37 g/mol
LogP3.50
Rot. Bonds8

About 5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol

5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135559916) has the molecular formula C17H19N5O5 and a molecular weight of 373.37 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID135559916
Molecular FormulaC17H19N5O5
Molecular Weight373.37 g/mol
Exact Mass373.14
IUPAC Name5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
SMILESCCN(CC)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C17H19N5O5/c1-3-20(4-2)13-6-5-12(17(23)10-13)11-18-19-15-8-7-14(21(24)25)9-16(15)22(26)27/h5-11,19,23H,3-4H2,1-2H3/b18-11+
InChIKeyMXTPZPVHGMJYKM-WOJGMQOQSA-N
XLogP3.50
TPSA134.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 3354356
N-[[4-(diethylamino)phenyl]methylideneamino]-2,4-dinitroaniline
CID 3089334
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135533486
N-(4-chlorophenyl)-4-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135679343
2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol
CID 4227419
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
5-(diethylamino)-2-[2-(4-nitroanilino)ethyliminomethyl]phenol
CID 135710907
2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide
CID 4585295
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol
CID 137129355
4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 137122714
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-nitrobenzamide
CID 136858298
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-6-ethoxyphenol
CID 135821570

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol (CID 135559916) is 5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol is CCN(CC)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is MXTPZPVHGMJYKM-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19N5O5/c1-3-20(4-2)13-6-5-12(17(23)10-13)11-18-19-15-8-7-14(21(24)25)9-16(15)22(26)27/h5-11,19,23H,3-4H2,1-2H3/b18-11+.
What are the key properties of 5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 373.37 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135559916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).