4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid

C14H20FNO2 — CID 106879109

IUPAC4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid
SMILESCc1cc(F)cc(C)c1C(N)CC(C)(C)C(=O)O
InChIInChI=1S/C14H20FNO2/c1-8-5-10(15)6-9(2)12(8)11(16)7-14(3,4)13(17)18/h5-6,11H,7,16H2,1-4H3,(H,17,18)
InChIKeyYTEJYJAFHIRGEW-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.94
Rot. Bonds4

About 4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid

4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid (PubChem CID 106879109) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid
PubChem CID106879109
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid
SMILESCc1cc(F)cc(C)c1C(N)CC(C)(C)C(=O)O
InChIInChI=1S/C14H20FNO2/c1-8-5-10(15)6-9(2)12(8)11(16)7-14(3,4)13(17)18/h5-6,11H,7,16H2,1-4H3,(H,17,18)
InChIKeyYTEJYJAFHIRGEW-UHFFFAOYSA-N
XLogP2.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid
CID 65298101
4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 65298192
4-amino-2,2-dimethyl-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid
CID 65298529
4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938518
4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanoic acid
CID 79737356
4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938499
2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid
CID 170879455
4-amino-2,2-dimethyl-4-(2-methyl-1H-indol-3-yl)butanoic acid
CID 116938506
1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine
CID 106877255
2-(1-bromo-3,3-dimethylbutyl)-5-fluoro-1,3-dimethylbenzene
CID 106880046
1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 106877505
methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate
CID 170883567

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid (CID 106879109) is 4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid is Cc1cc(F)cc(C)c1C(N)CC(C)(C)C(=O)O.
What is the InChIKey of 4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid?
The InChIKey is YTEJYJAFHIRGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-8-5-10(15)6-9(2)12(8)11(16)7-14(3,4)13(17)18/h5-6,11H,7,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid?
4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid has a molecular weight of 253.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 106879109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).