2-[2-(diethylamino)ethylamino]-2-(3,4-difluorophenyl)propanoic acid

C15H22F2N2O2 — CID 60993220

IUPAC2-[2-(diethylamino)ethylamino]-2-(3,4-difluorophenyl)propanoic acid
SMILESCCN(CC)CCNC(C)(C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2O2/c1-4-19(5-2)9-8-18-15(3,14(20)21)11-6-7-12(16)13(17)10-11/h6-7,10,18H,4-5,8-9H2,1-3H3,(H,20,21)
InChIKeyLPARGWRWUVTAAR-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.20
Rot. Bonds8

About 2-[2-(diethylamino)ethylamino]-2-(3,4-difluorophenyl)propanoic acid

2-[2-(diethylamino)ethylamino]-2-(3,4-difluorophenyl)propanoic acid (PubChem CID 60993220) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(3,4-difluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(3,4-difluorophenyl)propanoic acid
PubChem CID60993220
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(3,4-difluorophenyl)propanoic acid
SMILESCCN(CC)CCNC(C)(C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2O2/c1-4-19(5-2)9-8-18-15(3,14(20)21)11-6-7-12(16)13(17)10-11/h6-7,10,18H,4-5,8-9H2,1-3H3,(H,20,21)
InChIKeyLPARGWRWUVTAAR-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.20
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-(3,4-difluorophenyl)propanoic acid?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(3,4-difluorophenyl)propanoic acid (CID 60993220) is 2-[2-(diethylamino)ethylamino]-2-(3,4-difluorophenyl)propanoic acid.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(3,4-difluorophenyl)propanoic acid?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(3,4-difluorophenyl)propanoic acid is CCN(CC)CCNC(C)(C(=O)O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(3,4-difluorophenyl)propanoic acid?
The InChIKey is LPARGWRWUVTAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-4-19(5-2)9-8-18-15(3,14(20)21)11-6-7-12(16)13(17)10-11/h6-7,10,18H,4-5,8-9H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(3,4-difluorophenyl)propanoic acid?
2-[2-(diethylamino)ethylamino]-2-(3,4-difluorophenyl)propanoic acid has a molecular weight of 300.35 g/mol, XLogP of 2.20, 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-(3,4-difluorophenyl)propanoic acid is sourced from PubChem (CID 60993220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).