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

C13H19N3O3 — CID 80810485

IUPAC2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol
SMILESCCNc1cccc(N(CCO)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-2-14-11-4-3-5-12(13(11)16(18)19)15(8-9-17)10-6-7-10/h3-5,10,14,17H,2,6-9H2,1H3
InChIKeyWSBFXUVFMNVRBZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.99
Rot. Bonds7

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

2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol (PubChem CID 80810485) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol
PubChem CID80810485
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol
SMILESCCNc1cccc(N(CCO)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-2-14-11-4-3-5-12(13(11)16(18)19)15(8-9-17)10-6-7-10/h3-5,10,14,17H,2,6-9H2,1H3
InChIKeyWSBFXUVFMNVRBZ-UHFFFAOYSA-N
XLogP1.99
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.99
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-cyclobutyl-2-nitro-3-(propylamino)anilino]ethanol
CID 102875643
3-N-cyclohexyl-1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 80751437
2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol
CID 80771729
1-N,3-N,3-N-triethyl-2-nitrobenzene-1,3-diamine
CID 80766771
3-[cyclopentyl(2-hydroxyethyl)amino]-2-nitrobenzoic acid
CID 115542324
2-[3-(ethylamino)-N-methyl-2-nitroanilino]propan-1-ol
CID 104557063
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
N-cyclopropyl-2-[3-(ethylamino)-N-methyl-2-nitroanilino]acetamide
CID 80789372
3-N-butyl-1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 80754193
3-(N-cyclobutyl-3-ethoxy-2-nitroanilino)propan-1-ol
CID 102868498
3-N-(cyclopentylmethyl)-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80784463

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol?
The IUPAC name of 2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol (CID 80810485) is 2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol.
What is the SMILES notation for 2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol?
The canonical SMILES for 2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol is CCNc1cccc(N(CCO)C2CC2)c1[N+](=O)[O-].
What is the InChIKey of 2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol?
The InChIKey is WSBFXUVFMNVRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-14-11-4-3-5-12(13(11)16(18)19)15(8-9-17)10-6-7-10/h3-5,10,14,17H,2,6-9H2,1H3.
What are the key properties of 2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol?
2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol has a molecular weight of 265.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclopropyl-3-(ethylamino)-2-nitroanilino]ethanol is sourced from PubChem (CID 80810485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).