N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine

C16H17F3N2O — CID 126470020

IUPACN,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine
SMILESCN(C)CCOc1ccc(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C16H17F3N2O/c1-21(2)8-9-22-15-7-6-13(11-20-15)12-4-3-5-14(10-12)16(17,18)19/h3-7,10-11H,8-9H2,1-2H3
InChIKeyWKZVWBBNGNUKEP-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.71
Rot. Bonds5

About N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine

N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine (PubChem CID 126470020) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine
PubChem CID126470020
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC NameN,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine
SMILESCN(C)CCOc1ccc(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C16H17F3N2O/c1-21(2)8-9-22-15-7-6-13(11-20-15)12-4-3-5-14(10-12)16(17,18)19/h3-7,10-11H,8-9H2,1-2H3
InChIKeyWKZVWBBNGNUKEP-UHFFFAOYSA-N
XLogP3.71
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine (CID 126470020) is N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine is CN(C)CCOc1ccc(-c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine?
The InChIKey is WKZVWBBNGNUKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-21(2)8-9-22-15-7-6-13(11-20-15)12-4-3-5-14(10-12)16(17,18)19/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine?
N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine has a molecular weight of 310.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 126470020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).