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

C12H15F3N2O2 — CID 154975964

IUPAC2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCON(C)C(=O)C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-17(19-2)11(18)10(16)7-8-4-3-5-9(6-8)12(13,14)15/h3-6,10H,7,16H2,1-2H3
InChIKeyVJMHPIUWVBVXPO-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.60
Rot. Bonds4

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

2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 154975964) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID154975964
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCON(C)C(=O)C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-17(19-2)11(18)10(16)7-8-4-3-5-9(6-8)12(13,14)15/h3-6,10H,7,16H2,1-2H3
InChIKeyVJMHPIUWVBVXPO-UHFFFAOYSA-N
XLogP1.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 55034943
diethyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 53401794
2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120993063
[3-(trifluoromethyl)phenyl]methyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate
CID 23276632
[(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propyl] carbamate;hydrochloride
CID 86694778
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] acetate
CID 3024373
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65422341
2-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 66632722
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide (CID 154975964) is 2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide is CON(C)C(=O)C(N)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VJMHPIUWVBVXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-17(19-2)11(18)10(16)7-8-4-3-5-9(6-8)12(13,14)15/h3-6,10H,7,16H2,1-2H3.
What are the key properties of 2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 276.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methoxy-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 154975964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).