3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

C13H17F3N2O — CID 119737530

IUPAC3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(N)CC(=O)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-9(17)6-12(19)18(2)8-10-4-3-5-11(7-10)13(14,15)16/h3-5,7,9H,6,8,17H2,1-2H3
InChIKeyIJUAZGMOJXUECC-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.40
Rot. Bonds4

About 3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 119737530) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID119737530
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(N)CC(=O)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-9(17)6-12(19)18(2)8-10-4-3-5-11(7-10)13(14,15)16/h3-5,7,9H,6,8,17H2,1-2H3
InChIKeyIJUAZGMOJXUECC-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119297081
3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 120873575
3-amino-1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]butan-1-one
CID 120872790
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide
CID 60963572
3-amino-N-[(4-chloro-3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120873782
2-methyl-3-[methyl-[3-[3-(trifluoromethyl)phenyl]butanoyl]amino]propanoic acid
CID 119228621
N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide
CID 43248665
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
CID 119958236
N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 56854414
2-[(4-bromophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 112837529

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (CID 119737530) is 3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide is CC(N)CC(=O)N(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is IJUAZGMOJXUECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9(17)6-12(19)18(2)8-10-4-3-5-11(7-10)13(14,15)16/h3-5,7,9H,6,8,17H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 274.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 119737530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).