2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide

C14H19F3N2O — CID 78787853

IUPAC2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ccccc1CN(C)C(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-10-6-4-5-7-12(10)8-19(3)11(2)13(20)18-9-14(15,16)17/h4-7,11H,8-9H2,1-3H3,(H,18,20)
InChIKeyDNKGGWXUOLZBGI-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.49
Rot. Bonds5

About 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78787853) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78787853
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ccccc1CN(C)C(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-10-6-4-5-7-12(10)8-19(3)11(2)13(20)18-9-14(15,16)17/h4-7,11H,8-9H2,1-3H3,(H,18,20)
InChIKeyDNKGGWXUOLZBGI-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 26582952
2-[(3-fluorophenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787801
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 51243139
2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51072880
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787774
4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide
CID 9453506
2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 75386183
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 9042589

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 78787853) is 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is Cc1ccccc1CN(C)C(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is DNKGGWXUOLZBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10-6-4-5-7-12(10)8-19(3)11(2)13(20)18-9-14(15,16)17/h4-7,11H,8-9H2,1-3H3,(H,18,20).
What are the key properties of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 288.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78787853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).