4-[2-(4-nitroanilino)ethoxy]aniline

C14H15N3O3 — CID 63237676

IUPAC4-[2-(4-nitroanilino)ethoxy]aniline
SMILESNc1ccc(OCCNc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H15N3O3/c15-11-1-7-14(8-2-11)20-10-9-16-12-3-5-13(6-4-12)17(18)19/h1-8,16H,9-10,15H2
InChIKeyJCBMWXDSTRHLDG-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.67
Rot. Bonds6

About 4-[2-(4-nitroanilino)ethoxy]aniline

4-[2-(4-nitroanilino)ethoxy]aniline (PubChem CID 63237676) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[2-(4-nitroanilino)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(4-nitroanilino)ethoxy]aniline
PubChem CID63237676
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[2-(4-nitroanilino)ethoxy]aniline
SMILESNc1ccc(OCCNc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H15N3O3/c15-11-1-7-14(8-2-11)20-10-9-16-12-3-5-13(6-4-12)17(18)19/h1-8,16H,9-10,15H2
InChIKeyJCBMWXDSTRHLDG-UHFFFAOYSA-N
XLogP2.67
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

N-[2-(4-aminophenoxy)ethyl]-5-nitropyrimidin-2-amine
CID 63238244
N-[2-(4-aminophenoxy)ethyl]-4-methyl-3-nitroaniline
CID 63237763
O-[2-(4-nitroanilino)ethyl]hydroxylamine
CID 69258723
methyl 4-[3-(4-nitroanilino)propoxy]benzoate
CID 14882823
N-[10-(4-nitrophenoxy)decyl]aniline
CID 15706921
2,2-difluoro-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 113303726
1-fluoro-4-nitrobenzene;4-nitro-N-(2-propan-2-yloxyethyl)aniline;2-propan-2-yloxyethanamine;4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine;dihydrochloride
CID 159370928
N-[2-(2-methylphenoxy)ethyl]-4-nitroaniline
CID 60526977
2-[2-(4-nitroanilino)ethyl]benzene-1,4-diamine
CID 154375395
N-[2-(4-aminophenoxy)ethyl]-4-chloro-2-nitroaniline
CID 63237720
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
N-[2-(4-nitrophenoxy)ethyl]propan-1-amine;hydrochloride
CID 70552691

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-nitroanilino)ethoxy]aniline?
The IUPAC name of 4-[2-(4-nitroanilino)ethoxy]aniline (CID 63237676) is 4-[2-(4-nitroanilino)ethoxy]aniline.
What is the SMILES notation for 4-[2-(4-nitroanilino)ethoxy]aniline?
The canonical SMILES for 4-[2-(4-nitroanilino)ethoxy]aniline is Nc1ccc(OCCNc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-[2-(4-nitroanilino)ethoxy]aniline?
The InChIKey is JCBMWXDSTRHLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-11-1-7-14(8-2-11)20-10-9-16-12-3-5-13(6-4-12)17(18)19/h1-8,16H,9-10,15H2.
What are the key properties of 4-[2-(4-nitroanilino)ethoxy]aniline?
4-[2-(4-nitroanilino)ethoxy]aniline has a molecular weight of 273.29 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-nitroanilino)ethoxy]aniline is sourced from PubChem (CID 63237676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).