3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide

C12H15F3N2O2 — CID 119345484

IUPAC3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCN(Cc1cccc(OC(F)(F)F)c1)C(=O)CCN
InChIInChI=1S/C12H15F3N2O2/c1-17(11(18)5-6-16)8-9-3-2-4-10(7-9)19-12(13,14)15/h2-4,7H,5-6,8,16H2,1H3
InChIKeyQPVGIOQJCMUDKG-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.89
Rot. Bonds5

About 3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide

3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 119345484) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID119345484
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCN(Cc1cccc(OC(F)(F)F)c1)C(=O)CCN
InChIInChI=1S/C12H15F3N2O2/c1-17(11(18)5-6-16)8-9-3-2-4-10(7-9)19-12(13,14)15/h2-4,7H,5-6,8,16H2,1H3
InChIKeyQPVGIOQJCMUDKG-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119345497
2-amino-N-methyl-2-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 120594434
1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119822061
2-amino-N,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 119822100
2-(2-methoxyethylamino)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119822107
2-amino-N,2-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide;hydrochloride
CID 119822111
(2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796619
4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119297081
3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533
1,5-bis[3-(trifluoromethoxy)phenyl]pentan-3-one
CID 150145529
ethyl 4-[3-(trifluoromethoxy)phenyl]butanoate
CID 86728216
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide (CID 119345484) is 3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide is CN(Cc1cccc(OC(F)(F)F)c1)C(=O)CCN.
What is the InChIKey of 3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is QPVGIOQJCMUDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-17(11(18)5-6-16)8-9-3-2-4-10(7-9)19-12(13,14)15/h2-4,7H,5-6,8,16H2,1H3.
What are the key properties of 3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide?
3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 276.26 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 119345484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).