2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid

C15H23FN2O2 — CID 60993363

IUPAC2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid
SMILESCCN(CC)CCNC(C)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C15H23FN2O2/c1-4-18(5-2)10-9-17-15(3,14(19)20)12-7-6-8-13(16)11-12/h6-8,11,17H,4-5,9-10H2,1-3H3,(H,19,20)
InChIKeyVQIOBIICOCZWEC-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.06
Rot. Bonds8

About 2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid

2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid (PubChem CID 60993363) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid
PubChem CID60993363
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid
SMILESCCN(CC)CCNC(C)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C15H23FN2O2/c1-4-18(5-2)10-9-17-15(3,14(19)20)12-7-6-8-13(16)11-12/h6-8,11,17H,4-5,9-10H2,1-3H3,(H,19,20)
InChIKeyVQIOBIICOCZWEC-UHFFFAOYSA-N
XLogP2.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid (CID 60993363) is 2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid is CCN(CC)CCNC(C)(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid?
The InChIKey is VQIOBIICOCZWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-18(5-2)10-9-17-15(3,14(19)20)12-7-6-8-13(16)11-12/h6-8,11,17H,4-5,9-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid?
2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid has a molecular weight of 282.36 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 60993363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).