N,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine

C17H19F3N2O — CID 126469967

IUPACN,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H19F3N2O/c1-22(2)9-4-10-23-16-8-7-14(12-21-16)13-5-3-6-15(11-13)17(18,19)20/h3,5-8,11-12H,4,9-10H2,1-2H3
InChIKeyDVQQUPJHEBUPKS-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.10
Rot. Bonds6

About N,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine

N,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine (PubChem CID 126469967) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine
PubChem CID126469967
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC NameN,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H19F3N2O/c1-22(2)9-4-10-23-16-8-7-14(12-21-16)13-5-3-6-15(11-13)17(18,19)20/h3,5-8,11-12H,4,9-10H2,1-2H3
InChIKeyDVQQUPJHEBUPKS-UHFFFAOYSA-N
XLogP4.10
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine (CID 126469967) is N,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine is CN(C)CCCOc1ccc(-c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine?
The InChIKey is DVQQUPJHEBUPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O/c1-22(2)9-4-10-23-16-8-7-14(12-21-16)13-5-3-6-15(11-13)17(18,19)20/h3,5-8,11-12H,4,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine?
N,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine has a molecular weight of 324.35 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 126469967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).