3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

C12H15F3N2O2 — CID 106112788

IUPAC3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCOC(CN)C(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-19-10(6-16)11(18)17-7-8-4-2-3-5-9(8)12(13,14)15/h2-5,10H,6-7,16H2,1H3,(H,17,18)
InChIKeyAFFCEWBHFCEJFI-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.30
Rot. Bonds5

About 3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 106112788) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID106112788
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCOC(CN)C(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-19-10(6-16)11(18)17-7-8-4-2-3-5-9(8)12(13,14)15/h2-5,10H,6-7,16H2,1H3,(H,17,18)
InChIKeyAFFCEWBHFCEJFI-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide
CID 106113948
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62879432
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778
3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119705501
5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 82010760
3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 81079708
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide
CID 106112585
methyl 2-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]propanoate
CID 62881824
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778
1-(3-aminopropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea;hydrochloride
CID 154905922

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (CID 106112788) is 3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is COC(CN)C(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is AFFCEWBHFCEJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-19-10(6-16)11(18)17-7-8-4-2-3-5-9(8)12(13,14)15/h2-5,10H,6-7,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 276.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 106112788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).