2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol

C12H19N3O4 — CID 11140152

IUPAC2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol
SMILESCCN(CCO)c1ccc(NCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C12H19N3O4/c1-2-14(6-8-17)10-3-4-11(13-5-7-16)12(9-10)15(18)19/h3-4,9,13,16-17H,2,5-8H2,1H3
InChIKeySSRBPSAPLFYFAX-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.82
Rot. Bonds8

About 2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol

2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol (PubChem CID 11140152) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol.

Molecular Properties

Compound Name2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol
PubChem CID11140152
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol
SMILESCCN(CCO)c1ccc(NCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C12H19N3O4/c1-2-14(6-8-17)10-3-4-11(13-5-7-16)12(9-10)15(18)19/h3-4,9,13,16-17H,2,5-8H2,1H3
InChIKeySSRBPSAPLFYFAX-UHFFFAOYSA-N
XLogP0.82
TPSA98.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol?
The IUPAC name of 2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol (CID 11140152) is 2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol.
What is the SMILES notation for 2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol?
The canonical SMILES for 2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol is CCN(CCO)c1ccc(NCCO)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol?
The InChIKey is SSRBPSAPLFYFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-14(6-8-17)10-3-4-11(13-5-7-16)12(9-10)15(18)19/h3-4,9,13,16-17H,2,5-8H2,1H3.
What are the key properties of 2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol?
2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol has a molecular weight of 269.30 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol is sourced from PubChem (CID 11140152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).