2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol

C11H16N2O5 — CID 19851150

IUPAC2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol
SMILESCOCCOc1ccc(NCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O5/c1-17-6-7-18-9-2-3-10(12-4-5-14)11(8-9)13(15)16/h2-3,8,12,14H,4-7H2,1H3
InChIKeyACJAKMXBZCFHBM-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.02
Rot. Bonds8

About 2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol

2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol (PubChem CID 19851150) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol
PubChem CID19851150
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol
SMILESCOCCOc1ccc(NCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O5/c1-17-6-7-18-9-2-3-10(12-4-5-14)11(8-9)13(15)16/h2-3,8,12,14H,4-7H2,1H3
InChIKeyACJAKMXBZCFHBM-UHFFFAOYSA-N
XLogP1.02
TPSA93.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-methoxy-N-(2-methoxyethyl)-2-nitroaniline
CID 28549886
4-methoxy-N-(4-methoxybutyl)-2-nitroaniline
CID 60965413
N-(2-methoxyethyl)-N'-(4-methoxy-2-nitrophenyl)ethane-1,2-diamine
CID 83030382
2-(4-methyl-2-nitroanilino)ethanol
CID 158468910
1-[4-(2-hydroxyethylamino)-3-nitrophenyl]ethanone
CID 35749187
bis[4-(2-hydroxyethylamino)-3-nitrophenyl]methanone
CID 151369958
1-[4-[2-(4-methoxyphenoxy)ethylamino]-3-nitrophenyl]ethanone
CID 26437143
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
2-[2-(4-methoxy-2-nitroanilino)ethoxy]acetic acid
CID 79456576
methyl 4-[2-(2-methoxyethoxy)ethylamino]-3-nitrobenzoate
CID 177149291
4-(4-methoxybutylamino)-3-nitrobenzoic acid
CID 60965695
4-chloro-N-(2-methoxyethyl)-2-nitroaniline
CID 28542742

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol?
The IUPAC name of 2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol (CID 19851150) is 2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol?
The canonical SMILES for 2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol is COCCOc1ccc(NCCO)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol?
The InChIKey is ACJAKMXBZCFHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-17-6-7-18-9-2-3-10(12-4-5-14)11(8-9)13(15)16/h2-3,8,12,14H,4-7H2,1H3.
What are the key properties of 2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol?
2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol has a molecular weight of 256.26 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)-2-nitroanilino]ethanol is sourced from PubChem (CID 19851150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).