N-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid

C24H32FNO5 — CID 18986916

IUPACN-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
SMILESCCCN(CCC)CCc1cccc(F)c1OCCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C22H30FNO.C2H2O4/c1-3-15-24(16-4-2)17-13-20-11-8-12-21(23)22(20)25-18-14-19-9-6-5-7-10-19;3-1(4)2(5)6/h5-12H,3-4,13-18H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyIFZFFUIWJAICCA-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.27
Rot. Bonds11

About N-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid

N-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid (PubChem CID 18986916) has the molecular formula C24H32FNO5 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid.

Molecular Properties

Compound NameN-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
PubChem CID18986916
Molecular FormulaC24H32FNO5
Molecular Weight433.52 g/mol
Exact Mass433.23
IUPAC NameN-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
SMILESCCCN(CCC)CCc1cccc(F)c1OCCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C22H30FNO.C2H2O4/c1-3-15-24(16-4-2)17-13-20-11-8-12-21(23)22(20)25-18-14-19-9-6-5-7-10-19;3-1(4)2(5)6/h5-12H,3-4,13-18H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyIFZFFUIWJAICCA-UHFFFAOYSA-N
XLogP4.27
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid?
The IUPAC name of N-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid (CID 18986916) is N-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid.
What is the SMILES notation for N-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid?
The canonical SMILES for N-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid is CCCN(CCC)CCc1cccc(F)c1OCCc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid?
The InChIKey is IFZFFUIWJAICCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO.C2H2O4/c1-3-15-24(16-4-2)17-13-20-11-8-12-21(23)22(20)25-18-14-19-9-6-5-7-10-19;3-1(4)2(5)6/h5-12H,3-4,13-18H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid?
N-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid has a molecular weight of 433.52 g/mol, XLogP of 4.27, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-fluoro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid is sourced from PubChem (CID 18986916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).