1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine

C11H14F3NO2 — CID 43278729

IUPAC1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-15-6-8-3-4-9(16-2)10(5-8)17-7-11(12,13)14/h3-5,15H,6-7H2,1-2H3
InChIKeySLAXRSCJWHLDEC-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.36
Rot. Bonds5

About 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine

1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine (PubChem CID 43278729) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
PubChem CID43278729
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-15-6-8-3-4-9(16-2)10(5-8)17-7-11(12,13)14/h3-5,15H,6-7H2,1-2H3
InChIKeySLAXRSCJWHLDEC-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(methylaminomethyl)-2-(2,2,2-trifluoroethoxy)benzoate
CID 162679070
1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 155970638
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492602
4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
CID 43141747
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854
1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine
CID 83152802
4-methoxy-3-(2,2,2-trifluoroethoxy)phenol
CID 167312142
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 119106543
1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491652
N-[[4-methoxy-3-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine
CID 106704541
1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103408997

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine (CID 43278729) is 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine is CNCc1ccc(OC)c(OCC(F)(F)F)c1.
What is the InChIKey of 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine?
The InChIKey is SLAXRSCJWHLDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-15-6-8-3-4-9(16-2)10(5-8)17-7-11(12,13)14/h3-5,15H,6-7H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine?
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine has a molecular weight of 249.23 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43278729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).