2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

C12H16F3NO2 — CID 60657343

IUPAC2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCOC(CNCc1ccc(C(F)(F)F)cc1)OC
InChIInChI=1S/C12H16F3NO2/c1-17-11(18-2)8-16-7-9-3-5-10(6-4-9)12(13,14)15/h3-6,11,16H,7-8H2,1-2H3
InChIKeyQICRYJQRMAVDJN-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.41
Rot. Bonds6

About 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 60657343) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID60657343
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCOC(CNCc1ccc(C(F)(F)F)cc1)OC
InChIInChI=1S/C12H16F3NO2/c1-17-11(18-2)8-16-7-9-3-5-10(6-4-9)12(13,14)15/h3-6,11,16H,7-8H2,1-2H3
InChIKeyQICRYJQRMAVDJN-UHFFFAOYSA-N
XLogP2.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 60657343) is 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is COC(CNCc1ccc(C(F)(F)F)cc1)OC.
What is the InChIKey of 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is QICRYJQRMAVDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-17-11(18-2)8-16-7-9-3-5-10(6-4-9)12(13,14)15/h3-6,11,16H,7-8H2,1-2H3.
What are the key properties of 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 263.26 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-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 60657343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).