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

C15H23FN2O2 — CID 60992949

IUPAC2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid
SMILESCCN(CC)CCNC(C)(C(=O)O)c1ccccc1F
InChIInChI=1S/C15H23FN2O2/c1-4-18(5-2)11-10-17-15(3,14(19)20)12-8-6-7-9-13(12)16/h6-9,17H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyVIVNHEBWNQDVNB-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.06
Rot. Bonds8

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

2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid (PubChem CID 60992949) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid
PubChem CID60992949
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid
SMILESCCN(CC)CCNC(C)(C(=O)O)c1ccccc1F
InChIInChI=1S/C15H23FN2O2/c1-4-18(5-2)11-10-17-15(3,14(19)20)12-8-6-7-9-13(12)16/h6-9,17H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyVIVNHEBWNQDVNB-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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Related Compounds

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CID 5902
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CID 85935
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CID 228214
(+)-N-Methyl-L-phenylglycine
CID 681675
2-Phenyl-pyrrolidine-2-carboxylic acid
CID 3157294
2-(Methylamino)-2-phenylacetic acid hydrochloride
CID 24190972
4-[(Isopropylamino)Methyl]Phenylalanine
CID 46936944
(3-Hydroxy-propylamino)-phenyl-acetic acid ethyl ester
CID 649729
2-(Dimethylamino)-2-phenylacetic acid
CID 315599
2-Phenyl-2-(piperazin-1-yl)acetic acid
CID 12015092
2-(4-Methylpiperazin-1-yl)-2-phenylacetic acid
CID 22957262
(+)-N-Trifluoroacetyl-L-phenylglycine
CID 1268083

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid (CID 60992949) is 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid is CCN(CC)CCNC(C)(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid?
The InChIKey is VIVNHEBWNQDVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-18(5-2)11-10-17-15(3,14(19)20)12-8-6-7-9-13(12)16/h6-9,17H,4-5,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid?
2-[2-(diethylamino)ethylamino]-2-(2-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-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 60992949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).