2-[(4-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine

C11H17FN2O — CID 23499563

IUPAC2-[(4-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine
SMILESCN(C)CCONCc1ccc(F)cc1
InChIInChI=1S/C11H17FN2O/c1-14(2)7-8-15-13-9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3
InChIKeyLJHGQGCOSJUZSQ-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.41
Rot. Bonds6

About 2-[(4-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine

2-[(4-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine (PubChem CID 23499563) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine
PubChem CID23499563
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-[(4-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine
SMILESCN(C)CCONCc1ccc(F)cc1
InChIInChI=1S/C11H17FN2O/c1-14(2)7-8-15-13-9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3
InChIKeyLJHGQGCOSJUZSQ-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine (CID 23499563) is 2-[(4-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine is CN(C)CCONCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine?
The InChIKey is LJHGQGCOSJUZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-14(2)7-8-15-13-9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine?
2-[(4-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine has a molecular weight of 212.27 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 23499563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).