2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid

C13H18FNO2 — CID 115128165

IUPAC2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCN(CCc1ccccc1F)C(C)(C)C(=O)O
InChIInChI=1S/C13H18FNO2/c1-13(2,12(16)17)15(3)9-8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyVHXNCDIHUVBQHI-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.16
Rot. Bonds5

About 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid

2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid (PubChem CID 115128165) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid
PubChem CID115128165
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCN(CCc1ccccc1F)C(C)(C)C(=O)O
InChIInChI=1S/C13H18FNO2/c1-13(2,12(16)17)15(3)9-8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyVHXNCDIHUVBQHI-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoate
CID 115128600
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
2-[2-(1-benzofuran-3-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128171
3-[(2-fluorophenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042443
methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate
CID 115233720
4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 115157456
5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid
CID 65254792
2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042808
5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 94695505
1-[2-(2-fluorophenyl)ethyl]-1-methylhydrazine
CID 46929953
2-methyl-2-[methyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 79228537
2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid
CID 62820736

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid (CID 115128165) is 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid is CN(CCc1ccccc1F)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid?
The InChIKey is VHXNCDIHUVBQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-13(2,12(16)17)15(3)9-8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid?
2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid has a molecular weight of 239.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 115128165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).