N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide

C12H15F3N2O2 — CID 60702927

IUPACN-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
SMILESCNC(=O)C(C)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-8(11(18)16-2)17-7-9-5-3-4-6-10(9)19-12(13,14)15/h3-6,8,17H,7H2,1-2H3,(H,16,18)
InChIKeyVXFZMYWTPPRYRS-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.81
Rot. Bonds5

About N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide

N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide (PubChem CID 60702927) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
PubChem CID60702927
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
SMILESCNC(=O)C(C)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-8(11(18)16-2)17-7-9-5-3-4-6-10(9)19-12(13,14)15/h3-6,8,17H,7H2,1-2H3,(H,16,18)
InChIKeyVXFZMYWTPPRYRS-UHFFFAOYSA-N
XLogP1.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 79254130
N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54950815
methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate
CID 115461745
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115708068
1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
CID 82945948
4-methyl-2-(methylamino)-1-[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 90920038
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 106348987
3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28726645

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide?
The IUPAC name of N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide (CID 60702927) is N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide?
The canonical SMILES for N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide is CNC(=O)C(C)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide?
The InChIKey is VXFZMYWTPPRYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8(11(18)16-2)17-7-9-5-3-4-6-10(9)19-12(13,14)15/h3-6,8,17H,7H2,1-2H3,(H,16,18).
What are the key properties of N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide?
N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide has a molecular weight of 276.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 60702927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).