2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid

C13H18FNO2 — CID 114994555

IUPAC2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid
SMILESCCC(C)(NCCc1ccccc1F)C(=O)O
InChIInChI=1S/C13H18FNO2/c1-3-13(2,12(16)17)15-9-8-10-6-4-5-7-11(10)14/h4-7,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyRMFVXNHJCYZRFM-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.21
Rot. Bonds6

About 2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid

2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid (PubChem CID 114994555) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid
PubChem CID114994555
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid
SMILESCCC(C)(NCCc1ccccc1F)C(=O)O
InChIInChI=1S/C13H18FNO2/c1-3-13(2,12(16)17)15-9-8-10-6-4-5-7-11(10)14/h4-7,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyRMFVXNHJCYZRFM-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789880
2,2-diethyl-4-[2-(2-fluorophenyl)ethylamino]-4-oxobutanoic acid
CID 43529528
3-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-methylpropanoic acid
CID 114832173
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789124
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-[(2-bromophenyl)methylamino]-2-methylbutanoic acid
CID 78971162
2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide
CID 79797317
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid
CID 79789645
1-[2-(2-fluorophenyl)ethylamino]propan-2-one
CID 115235072
2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128165

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid (CID 114994555) is 2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid is CCC(C)(NCCc1ccccc1F)C(=O)O.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid?
The InChIKey is RMFVXNHJCYZRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-13(2,12(16)17)15-9-8-10-6-4-5-7-11(10)14/h4-7,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid?
2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid has a molecular weight of 239.29 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid is sourced from PubChem (CID 114994555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).