N-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid

C15H22FNO6 — CID 2869880

IUPACN-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid
SMILESCC(C)NCCOCCOc1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C13H20FNO2.C2H2O4/c1-11(2)15-7-8-16-9-10-17-13-6-4-3-5-12(13)14;3-1(4)2(5)6/h3-6,11,15H,7-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyALNFUJNAARAIOQ-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.37
Rot. Bonds8

About N-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid

N-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid (PubChem CID 2869880) has the molecular formula C15H22FNO6 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid
PubChem CID2869880
Molecular FormulaC15H22FNO6
Molecular Weight331.34 g/mol
Exact Mass331.14
IUPAC NameN-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid
SMILESCC(C)NCCOCCOc1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C13H20FNO2.C2H2O4/c1-11(2)15-7-8-16-9-10-17-13-6-4-3-5-12(13)14;3-1(4)2(5)6/h3-6,11,15H,7-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyALNFUJNAARAIOQ-UHFFFAOYSA-N
XLogP1.37
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.37
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid?
The IUPAC name of N-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid (CID 2869880) is N-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid.
What is the SMILES notation for N-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid?
The canonical SMILES for N-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid is CC(C)NCCOCCOc1ccccc1F.O=C(O)C(=O)O.
What is the InChIKey of N-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid?
The InChIKey is ALNFUJNAARAIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2.C2H2O4/c1-11(2)15-7-8-16-9-10-17-13-6-4-3-5-12(13)14;3-1(4)2(5)6/h3-6,11,15H,7-10H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid?
N-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid has a molecular weight of 331.34 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]propan-2-amine;oxalic acid is sourced from PubChem (CID 2869880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).