4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one

C14H18F3NO2 — CID 90920038

IUPAC4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one
SMILESCNC(Cc1ccccc1OC(F)(F)F)C(=O)C(C)C
InChIInChI=1S/C14H18F3NO2/c1-9(2)13(19)11(18-3)8-10-6-4-5-7-12(10)20-14(15,16)17/h4-7,9,11,18H,8H2,1-3H3
InChIKeyAKXZJMXMZLWETA-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.94
Rot. Bonds6

About 4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one

4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one (PubChem CID 90920038) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one.

Molecular Properties

Compound Name4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one
PubChem CID90920038
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one
SMILESCNC(Cc1ccccc1OC(F)(F)F)C(=O)C(C)C
InChIInChI=1S/C14H18F3NO2/c1-9(2)13(19)11(18-3)8-10-6-4-5-7-12(10)20-14(15,16)17/h4-7,9,11,18H,8H2,1-3H3
InChIKeyAKXZJMXMZLWETA-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one 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

N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60702927
1-(3-chloro-2-methylpropyl)-2-(trifluoromethoxy)benzene
CID 64664413
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
2-cyano-3-[2-(trifluoromethoxy)phenyl]propanoic acid
CID 53487600
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 120502341
4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid
CID 62961689
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 79254130
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119278540
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one?
The IUPAC name of 4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one (CID 90920038) is 4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one.
What is the SMILES notation for 4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one?
The canonical SMILES for 4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one is CNC(Cc1ccccc1OC(F)(F)F)C(=O)C(C)C.
What is the InChIKey of 4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one?
The InChIKey is AKXZJMXMZLWETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-9(2)13(19)11(18-3)8-10-6-4-5-7-12(10)20-14(15,16)17/h4-7,9,11,18H,8H2,1-3H3.
What are the key properties of 4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one?
4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one has a molecular weight of 289.30 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one is sourced from PubChem (CID 90920038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).