2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol

C10H15N3O4 — CID 5488740

IUPAC2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol
SMILESO=[N+]([O-])c1cc(NCCO)ccc1NCCO
InChIInChI=1S/C10H15N3O4/c14-5-3-11-8-1-2-9(12-4-6-15)10(7-8)13(16)17/h1-2,7,11-12,14-15H,3-6H2
InChIKeyHWQZRURILVPDGN-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.40
Rot. Bonds7

About 2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol

2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol (PubChem CID 5488740) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol
PubChem CID5488740
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol
SMILESO=[N+]([O-])c1cc(NCCO)ccc1NCCO
InChIInChI=1S/C10H15N3O4/c14-5-3-11-8-1-2-9(12-4-6-15)10(7-8)13(16)17/h1-2,7,11-12,14-15H,3-6H2
InChIKeyHWQZRURILVPDGN-UHFFFAOYSA-N
XLogP0.40
TPSA107.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.40
H-Bond Donors ≤ 54
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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Related Compounds

HC Blue 1
CID 17734
HC Blue 2
CID 36383
HC Red 3
CID 3465817
Benzenamine, 2,4-dinitro-N-phenyl-
CID 13748
N-(3-Aminopropyl)-2-nitrobenzenamine
CID 3581192
HC Yellow No. 2
CID 78637
N-(2,4-Dinitrophenyl)-L-serine
CID 96800
N-(2,4-Dinitrophenyl)glycine
CID 14135
HC Yellow 5
CID 3648504
HC Red 7
CID 5484089
N,N'-Bis(2,4-dinitrophenyl)ethylenediamine
CID 99481
N-ethyl-2,4-dinitroaniline
CID 77454

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol?
The IUPAC name of 2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol (CID 5488740) is 2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol?
The canonical SMILES for 2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol is O=[N+]([O-])c1cc(NCCO)ccc1NCCO.
What is the InChIKey of 2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol?
The InChIKey is HWQZRURILVPDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c14-5-3-11-8-1-2-9(12-4-6-15)10(7-8)13(16)17/h1-2,7,11-12,14-15H,3-6H2.
What are the key properties of 2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol?
2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol has a molecular weight of 241.25 g/mol, XLogP of 0.40, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol is sourced from PubChem (CID 5488740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).