2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol

C18H22N4O3 — CID 9059235

IUPAC2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol
SMILESCCN(CCO)c1ccc(/C=N\Nc2ccccc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C18H22N4O3/c1-3-21(10-11-23)16-9-8-15(14(2)12-16)13-19-20-17-6-4-5-7-18(17)22(24)25/h4-9,12-13,20,23H,3,10-11H2,1-2H3/b19-13-
InChIKeyKIJKXSYXNOJZOM-UYRXBGFRSA-N
MW342.40 g/mol
LogP3.17
Rot. Bonds8

About 2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol

2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol (PubChem CID 9059235) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol
PubChem CID9059235
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol
SMILESCCN(CCO)c1ccc(/C=N\Nc2ccccc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C18H22N4O3/c1-3-21(10-11-23)16-9-8-15(14(2)12-16)13-19-20-17-6-4-5-7-18(17)22(24)25/h4-9,12-13,20,23H,3,10-11H2,1-2H3/b19-13-
InChIKeyKIJKXSYXNOJZOM-UYRXBGFRSA-N
XLogP3.17
TPSA91.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135559916
N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide
CID 9060004
4-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 3354356
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline
CID 9014623
2-(N-ethyl-2-methyl-6-nitroanilino)ethanol
CID 115553982
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-nitrobenzamide
CID 136858298
5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide
CID 9040611
2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 4097319
3-(N-ethyl-4-methyl-3-nitroanilino)propan-1-ol
CID 113468956
2-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 9257449
1-[4-[ethyl(2-hydroxyethyl)amino]-2-nitrophenyl]ethanone
CID 104529568
2-[4-[[4-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-2-nitroanilino]-(2-hydroxyethyl)amino]-N-ethyl-3-nitroanilino]ethanol
CID 57034784

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol?
The IUPAC name of 2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol (CID 9059235) is 2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol is CCN(CCO)c1ccc(/C=N\Nc2ccccc2[N+](=O)[O-])c(C)c1.
What is the InChIKey of 2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol?
The InChIKey is KIJKXSYXNOJZOM-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-21(10-11-23)16-9-8-15(14(2)12-16)13-19-20-17-6-4-5-7-18(17)22(24)25/h4-9,12-13,20,23H,3,10-11H2,1-2H3/b19-13-.
What are the key properties of 2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol?
2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol has a molecular weight of 342.40 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol is sourced from PubChem (CID 9059235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).