2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid

C18H20FNO2 — CID 77158006

IUPAC2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid
SMILESCC(c1ccccc1)C(C(=O)O)(c1ccccc1F)N(C)C
InChIInChI=1S/C18H20FNO2/c1-13(14-9-5-4-6-10-14)18(17(21)22,20(2)3)15-11-7-8-12-16(15)19/h4-13H,1-3H3,(H,21,22)
InChIKeyNZEIRZHQAQJPPO-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.47
Rot. Bonds5

About 2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid

2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid (PubChem CID 77158006) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid
PubChem CID77158006
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid
SMILESCC(c1ccccc1)C(C(=O)O)(c1ccccc1F)N(C)C
InChIInChI=1S/C18H20FNO2/c1-13(14-9-5-4-6-10-14)18(17(21)22,20(2)3)15-11-7-8-12-16(15)19/h4-13H,1-3H3,(H,21,22)
InChIKeyNZEIRZHQAQJPPO-UHFFFAOYSA-N
XLogP3.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid
CID 67151218
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
CID 55255014
2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
CID 55232992
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid
CID 95298200
3-[[2-(2-fluorophenyl)-2-methylpropanoyl]-methylamino]-2-methylpropanoic acid
CID 119228737
2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
CID 114990361
2-(diethylamino)-2-(2-fluorophenyl)butanoic acid
CID 112679517
[(1R)-1-phenylethyl] 2-(dimethylamino)-2-(2-fluorophenyl)acetate
CID 174612422
1-phenylethyl (2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetate
CID 70865763
2-ethoxycarbonyl-2-(2-fluorophenyl)-4-methylpentanoic acid
CID 103974974

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid?
The IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid (CID 77158006) is 2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid.
What is the SMILES notation for 2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid?
The canonical SMILES for 2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid is CC(c1ccccc1)C(C(=O)O)(c1ccccc1F)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid?
The InChIKey is NZEIRZHQAQJPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13(14-9-5-4-6-10-14)18(17(21)22,20(2)3)15-11-7-8-12-16(15)19/h4-13H,1-3H3,(H,21,22).
What are the key properties of 2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid?
2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid has a molecular weight of 301.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-fluorophenyl)-3-phenylbutanoic acid is sourced from PubChem (CID 77158006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).