2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol

C11H17N3O3 — CID 80771729

IUPAC2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol
SMILESCCNc1cccc(N(C)CCO)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-3-12-9-5-4-6-10(11(9)14(16)17)13(2)7-8-15/h4-6,12,15H,3,7-8H2,1-2H3
InChIKeyOQNKQHZBDRWSMW-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.46
Rot. Bonds6

About 2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol

2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol (PubChem CID 80771729) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol.

Molecular Properties

Compound Name2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol
PubChem CID80771729
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol
SMILESCCNc1cccc(N(C)CCO)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-3-12-9-5-4-6-10(11(9)14(16)17)13(2)7-8-15/h4-6,12,15H,3,7-8H2,1-2H3
InChIKeyOQNKQHZBDRWSMW-UHFFFAOYSA-N
XLogP1.46
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
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

2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol
CID 80810485
2-[3-(ethylamino)-N-methyl-2-nitroanilino]propan-1-ol
CID 104557063
1-N,3-N,3-N-triethyl-2-nitrobenzene-1,3-diamine
CID 80766771
2-(3-amino-N-methyl-2-nitroanilino)ethanol
CID 80771722
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 45118197
3-N-(cyclobutylmethyl)-1-N-ethyl-3-N-methyl-2-nitrobenzene-1,3-diamine
CID 80825696
1-[3-(ethylamino)-N-methyl-2-nitroanilino]-3-methoxypropan-2-ol
CID 80810177
N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide
CID 80789372
3-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80778166
1-N-ethyl-3-N-methyl-2-nitro-3-N-pentan-2-ylbenzene-1,3-diamine
CID 80793409
3-N-butyl-1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 80754193
3-N-ethyl-1-N,3-N-dimethyl-2-nitrobenzene-1,3-diamine
CID 80774350

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol?
The IUPAC name of 2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol (CID 80771729) is 2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol.
What is the SMILES notation for 2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol?
The canonical SMILES for 2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol is CCNc1cccc(N(C)CCO)c1[N+](=O)[O-].
What is the InChIKey of 2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol?
The InChIKey is OQNKQHZBDRWSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-12-9-5-4-6-10(11(9)14(16)17)13(2)7-8-15/h4-6,12,15H,3,7-8H2,1-2H3.
What are the key properties of 2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol?
2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol has a molecular weight of 239.27 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol is sourced from PubChem (CID 80771729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).