2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid

C14H20FNO2 — CID 65055742

IUPAC2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1ccc(F)cc1C)C(=O)O
InChIInChI=1S/C14H20FNO2/c1-4-7-14(3,13(17)18)16-9-11-5-6-12(15)8-10(11)2/h5-6,8,16H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyQGHQCYGOLXKTQE-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.87
Rot. Bonds6

About 2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid

2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid (PubChem CID 65055742) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid
PubChem CID65055742
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1ccc(F)cc1C)C(=O)O
InChIInChI=1S/C14H20FNO2/c1-4-7-14(3,13(17)18)16-9-11-5-6-12(15)8-10(11)2/h5-6,8,16H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyQGHQCYGOLXKTQE-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid (CID 65055742) is 2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid is CCCC(C)(NCc1ccc(F)cc1C)C(=O)O.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid?
The InChIKey is QGHQCYGOLXKTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-7-14(3,13(17)18)16-9-11-5-6-12(15)8-10(11)2/h5-6,8,16H,4,7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid?
2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid has a molecular weight of 253.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid is sourced from PubChem (CID 65055742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).