2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine

C13H19F3N2O — CID 62018917

IUPAC2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
SMILESCNCc1ccc(OC)c(CN(C)CC(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-17-7-10-4-5-12(19-3)11(6-10)8-18(2)9-13(14,15)16/h4-6,17H,7-9H2,1-3H3
InChIKeyNYOIDXJLXLFWJK-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.41
Rot. Bonds6

About 2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine

2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine (PubChem CID 62018917) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
PubChem CID62018917
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
SMILESCNCc1ccc(OC)c(CN(C)CC(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-17-7-10-4-5-12(19-3)11(6-10)8-18(2)9-13(14,15)16/h4-6,17H,7-9H2,1-3H3
InChIKeyNYOIDXJLXLFWJK-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62019469
1-cyclopropyl-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylmethanamine
CID 62017230
1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone
CID 60893124
2-methoxy-N-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102704420
1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine
CID 82790045
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine
CID 62018728
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine
CID 62017781
3-fluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline
CID 62019120
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227004
N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 107454402

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine (CID 62018917) is 2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine is CNCc1ccc(OC)c(CN(C)CC(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine?
The InChIKey is NYOIDXJLXLFWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-17-7-10-4-5-12(19-3)11(6-10)8-18(2)9-13(14,15)16/h4-6,17H,7-9H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine?
2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine has a molecular weight of 276.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine is sourced from PubChem (CID 62018917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).