2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid

C11H19N3O4 — CID 73012438

IUPAC2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid
SMILESCCN(CCO)c1cc(C)ccc1N.O=[N+]([O-])O
InChIInChI=1S/C11H18N2O.HNO3/c1-3-13(6-7-14)11-8-9(2)4-5-10(11)12;2-1(3)4/h4-5,8,14H,3,6-7,12H2,1-2H3;(H,2,3,4)
InChIKeyOIGQPMJMFLZOPD-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.05
Rot. Bonds4

About 2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid

2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid (PubChem CID 73012438) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid.

Molecular Properties

Compound Name2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid
PubChem CID73012438
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid
SMILESCCN(CCO)c1cc(C)ccc1N.O=[N+]([O-])O
InChIInChI=1S/C11H18N2O.HNO3/c1-3-13(6-7-14)11-8-9(2)4-5-10(11)12;2-1(3)4/h4-5,8,14H,3,6-7,12H2,1-2H3;(H,2,3,4)
InChIKeyOIGQPMJMFLZOPD-UHFFFAOYSA-N
XLogP1.05
TPSA112.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid?
The IUPAC name of 2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid (CID 73012438) is 2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid.
What is the SMILES notation for 2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid?
The canonical SMILES for 2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid is CCN(CCO)c1cc(C)ccc1N.O=[N+]([O-])O.
What is the InChIKey of 2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid?
The InChIKey is OIGQPMJMFLZOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.HNO3/c1-3-13(6-7-14)11-8-9(2)4-5-10(11)12;2-1(3)4/h4-5,8,14H,3,6-7,12H2,1-2H3;(H,2,3,4).
What are the key properties of 2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid?
2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid has a molecular weight of 257.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-ethyl-5-methylanilino)ethanol;nitric acid is sourced from PubChem (CID 73012438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).