2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal

C15H20F3NO — CID 62276408

IUPAC2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal
SMILESCC(C)N(CC(F)(F)F)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C15H20F3NO/c1-12(2)19(10-15(16,17)18)9-14(3,11-20)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyFXVNDDMZPHWKSM-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.42
Rot. Bonds6

About 2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal

2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal (PubChem CID 62276408) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal.

Molecular Properties

Compound Name2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal
PubChem CID62276408
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal
SMILESCC(C)N(CC(F)(F)F)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C15H20F3NO/c1-12(2)19(10-15(16,17)18)9-14(3,11-20)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyFXVNDDMZPHWKSM-UHFFFAOYSA-N
XLogP3.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal 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

3-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-phenylpropanal
CID 82952847
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal
CID 62277730
3-[2-methoxyethyl(pentan-3-yl)amino]-2-methyl-2-phenylpropanal
CID 62276454
3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal
CID 62276195
2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal
CID 62278481
3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal
CID 62278320
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal
CID 62278279
2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal
CID 79489421
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
4-hydroxy-2-methyl-2-phenylbutanal
CID 88582805
2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82981726

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal?
The IUPAC name of 2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal (CID 62276408) is 2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal.
What is the SMILES notation for 2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal?
The canonical SMILES for 2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal is CC(C)N(CC(F)(F)F)CC(C)(C=O)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal?
The InChIKey is FXVNDDMZPHWKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-12(2)19(10-15(16,17)18)9-14(3,11-20)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal?
2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal has a molecular weight of 287.32 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal is sourced from PubChem (CID 62276408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).