2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid

C15H20F3NO2 — CID 151744228

IUPAC2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid
SMILESCC(CCc1ccccc1C(F)(F)F)CC(C)(N)C(=O)O
InChIInChI=1S/C15H20F3NO2/c1-10(9-14(2,19)13(20)21)7-8-11-5-3-4-6-12(11)15(16,17)18/h3-6,10H,7-9,19H2,1-2H3,(H,20,21)
InChIKeyRNEFYVTZQIQNCF-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.47
Rot. Bonds6

About 2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid

2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid (PubChem CID 151744228) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid.

Molecular Properties

Compound Name2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid
PubChem CID151744228
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid
SMILESCC(CCc1ccccc1C(F)(F)F)CC(C)(N)C(=O)O
InChIInChI=1S/C15H20F3NO2/c1-10(9-14(2,19)13(20)21)7-8-11-5-3-4-6-12(11)15(16,17)18/h3-6,10H,7-9,19H2,1-2H3,(H,20,21)
InChIKeyRNEFYVTZQIQNCF-UHFFFAOYSA-N
XLogP3.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid
CID 151774149
4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol
CID 64514191
4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 54775947
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(trifluoromethyl)phenyl]butanoic acid
CID 91623691
2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid
CID 150822289
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
2-(3,5,5-trimethylhexyl)benzoic acid
CID 22925364
methyl 2-amino-6-[2,6-bis(trifluoromethyl)phenyl]-4-methylhexanoate
CID 174498077
4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 11746021
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
4-(tert-butylamino)-2,2-dimethyl-7-[2-(trifluoromethyl)phenyl]heptan-3-one
CID 58061649
2-(aminomethyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 69270720

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid?
The IUPAC name of 2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid (CID 151744228) is 2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid.
What is the SMILES notation for 2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid?
The canonical SMILES for 2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid is CC(CCc1ccccc1C(F)(F)F)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid?
The InChIKey is RNEFYVTZQIQNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-10(9-14(2,19)13(20)21)7-8-11-5-3-4-6-12(11)15(16,17)18/h3-6,10H,7-9,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid?
2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid has a molecular weight of 303.32 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid is sourced from PubChem (CID 151744228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).