2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid

C15H23ClN2O5 — CID 3046187

IUPAC2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid
SMILESCCN(CC)CCONCc1ccc(Cl)cc1.O=C(O)C(=O)O
InChIInChI=1S/C13H21ClN2O.C2H2O4/c1-3-16(4-2)9-10-17-15-11-12-5-7-13(14)8-6-12;3-1(4)2(5)6/h5-8,15H,3-4,9-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyVINUUNLZRZUIQK-UHFFFAOYSA-N
MW346.81 g/mol
LogP1.86
Rot. Bonds8

About 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid

2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid (PubChem CID 3046187) has the molecular formula C15H23ClN2O5 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid
PubChem CID3046187
Molecular FormulaC15H23ClN2O5
Molecular Weight346.81 g/mol
Exact Mass346.13
IUPAC Name2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid
SMILESCCN(CC)CCONCc1ccc(Cl)cc1.O=C(O)C(=O)O
InChIInChI=1S/C13H21ClN2O.C2H2O4/c1-3-16(4-2)9-10-17-15-11-12-5-7-13(14)8-6-12;3-1(4)2(5)6/h5-8,15H,3-4,9-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyVINUUNLZRZUIQK-UHFFFAOYSA-N
XLogP1.86
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_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-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid (CID 3046187) is 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid is CCN(CC)CCONCc1ccc(Cl)cc1.O=C(O)C(=O)O.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid?
The InChIKey is VINUUNLZRZUIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O.C2H2O4/c1-3-16(4-2)9-10-17-15-11-12-5-7-13(14)8-6-12;3-1(4)2(5)6/h5-8,15H,3-4,9-11H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid?
2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid has a molecular weight of 346.81 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine;oxalic acid is sourced from PubChem (CID 3046187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).