2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid

C13H16F3NO2 — CID 106509167

IUPAC2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid
SMILESCc1ccccc1C(CN)(CCC(F)(F)F)C(=O)O
InChIInChI=1S/C13H16F3NO2/c1-9-4-2-3-5-10(9)12(8-17,11(18)19)6-7-13(14,15)16/h2-5H,6-8,17H2,1H3,(H,18,19)
InChIKeySHUDGLOLFIHDDL-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.62
Rot. Bonds5

About 2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid

2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid (PubChem CID 106509167) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid
PubChem CID106509167
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid
SMILESCc1ccccc1C(CN)(CCC(F)(F)F)C(=O)O
InChIInChI=1S/C13H16F3NO2/c1-9-4-2-3-5-10(9)12(8-17,11(18)19)6-7-13(14,15)16/h2-5H,6-8,17H2,1H3,(H,18,19)
InChIKeySHUDGLOLFIHDDL-UHFFFAOYSA-N
XLogP2.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid
CID 106509081
2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid
CID 106509102
methyl 2-(aminomethyl)-6,6,6-trifluoro-2-(2-methylphenyl)hexanoate
CID 106509037
2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid
CID 79426124
2-(aminomethyl)-2-(2-fluorophenyl)-4-methoxybutanoic acid
CID 106490625
2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid
CID 106490661
2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid
CID 105466548
2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
CID 106489346
methyl 2-(aminomethyl)-5-hydroxy-2-(2-methylphenyl)pentanoate
CID 106509046
methyl 2-(aminomethyl)-4,4-difluoro-2-(2-methylphenyl)butanoate
CID 106509032
ethyl 2-(aminomethyl)-6,6,6-trifluoro-2-phenylhexanoate
CID 106509552
2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid
CID 106490943

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid?
The IUPAC name of 2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid (CID 106509167) is 2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid is Cc1ccccc1C(CN)(CCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid?
The InChIKey is SHUDGLOLFIHDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9-4-2-3-5-10(9)12(8-17,11(18)19)6-7-13(14,15)16/h2-5H,6-8,17H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid?
2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid has a molecular weight of 275.27 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid is sourced from PubChem (CID 106509167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).