2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid

C13H19FN2O2 — CID 54895036

IUPAC2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid
SMILESCN(C)CCNC(C)(C(=O)O)c1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-13(12(17)18,15-8-9-16(2)3)10-6-4-5-7-11(10)14/h4-7,15H,8-9H2,1-3H3,(H,17,18)
InChIKeyIGURIBOGOSMSDF-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.28
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid

2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid (PubChem CID 54895036) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid
PubChem CID54895036
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid
SMILESCN(C)CCNC(C)(C(=O)O)c1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-13(12(17)18,15-8-9-16(2)3)10-6-4-5-7-11(10)14/h4-7,15H,8-9H2,1-3H3,(H,17,18)
InChIKeyIGURIBOGOSMSDF-UHFFFAOYSA-N
XLogP1.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid (CID 54895036) is 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid is CN(C)CCNC(C)(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid?
The InChIKey is IGURIBOGOSMSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-13(12(17)18,15-8-9-16(2)3)10-6-4-5-7-11(10)14/h4-7,15H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid?
2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid has a molecular weight of 254.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 54895036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).