N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline

C14H16N4O2 — CID 142912922

IUPACN-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline
SMILESCCNc1ccc(NNc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H16N4O2/c1-2-15-11-3-5-12(6-4-11)16-17-13-7-9-14(10-8-13)18(19)20/h3-10,15-17H,2H2,1H3
InChIKeyYNMYMMJNKFPCNY-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.47
Rot. Bonds6

About N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline

N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline (PubChem CID 142912922) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline.

Molecular Properties

Compound NameN-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline
PubChem CID142912922
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline
SMILESCCNc1ccc(NNc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H16N4O2/c1-2-15-11-3-5-12(6-4-11)16-17-13-7-9-14(10-8-13)18(19)20/h3-10,15-17H,2H2,1H3
InChIKeyYNMYMMJNKFPCNY-UHFFFAOYSA-N
XLogP3.47
TPSA79.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605
1-(2-methyl-4-nitrophenyl)-2-(4-nitrophenyl)hydrazine
CID 57020323
N-(3,3-dimethylbutyl)-4-nitroaniline
CID 60759785
3-[(4-nitroanilino)methyl]pentan-3-ol
CID 62060213
N'-ethyl-N'-[2-(4-nitroanilino)ethyl]-N-(4-nitrophenyl)ethane-1,2-diamine
CID 58794849
1-(4-nitrophenyl)-2-propan-2-ylhydrazine
CID 101164865
(2R)-1-(4-nitroanilino)propan-2-ol
CID 7601843
N-(4-nitrophenyl)-N'-pentan-3-ylethane-1,2-diamine
CID 18522688
N-(4-nitrophenyl)ethanesulfonamide
CID 521811
4-nitro-N-[2-[2-(4-nitroanilino)ethylsulfanyl]ethyl]aniline
CID 58794858
2-ethyl-2-[(4-nitroanilino)methyl]butan-1-ol
CID 81413516
N'-(4-nitrophenyl)-N-pentylethane-1,2-diamine
CID 57007665

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline?
The IUPAC name of N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline (CID 142912922) is N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline.
What is the SMILES notation for N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline?
The canonical SMILES for N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline is CCNc1ccc(NNc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline?
The InChIKey is YNMYMMJNKFPCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-15-11-3-5-12(6-4-11)16-17-13-7-9-14(10-8-13)18(19)20/h3-10,15-17H,2H2,1H3.
What are the key properties of N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline?
N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline has a molecular weight of 272.31 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline is sourced from PubChem (CID 142912922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).