N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline

C14H16N4O2 — CID 80917523

IUPACN-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline
SMILESCCN(c1ccccc1)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H16N4O2/c1-2-17(12-6-4-3-5-7-12)13-8-11(16-15)9-14(10-13)18(19)20/h3-10,16H,2,15H2,1H3
InChIKeyPHYPQQBIOWAPFH-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.04
Rot. Bonds5

About N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline

N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline (PubChem CID 80917523) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline.

Molecular Properties

Compound NameN-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline
PubChem CID80917523
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline
SMILESCCN(c1ccccc1)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H16N4O2/c1-2-17(12-6-4-3-5-7-12)13-8-11(16-15)9-14(10-13)18(19)20/h3-10,16H,2,15H2,1H3
InChIKeyPHYPQQBIOWAPFH-UHFFFAOYSA-N
XLogP3.04
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline
CID 80924169
N-cyclohexyl-N-ethyl-3-hydrazinyl-5-nitroaniline
CID 80928455
N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80894806
2-(N-ethyl-3-hydrazinyl-5-nitroanilino)-N-methylacetamide
CID 80896043
3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 80905083
2-bromo-6-chloro-N-ethyl-4-nitro-N-phenylaniline
CID 91681235
3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline
CID 80895595
N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 80909909
3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline
CID 80905726
3-(3-hydrazinyl-N-methyl-5-nitroanilino)butanenitrile
CID 80914174
N-ethyl-3-fluoro-N-(4-methylphenyl)-5-nitroaniline
CID 80752839
N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80910026

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline?
The IUPAC name of N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline (CID 80917523) is N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline.
What is the SMILES notation for N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline?
The canonical SMILES for N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline is CCN(c1ccccc1)c1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline?
The InChIKey is PHYPQQBIOWAPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-17(12-6-4-3-5-7-12)13-8-11(16-15)9-14(10-13)18(19)20/h3-10,16H,2,15H2,1H3.
What are the key properties of N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline?
N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline has a molecular weight of 272.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline is sourced from PubChem (CID 80917523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).