N-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine

C18H21F3N2O — CID 139211014

IUPACN-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine
SMILESCN(CCCc1ccccc1)CCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C18H21F3N2O/c1-23(12-6-9-15-7-3-2-4-8-15)13-14-24-17-11-5-10-16(22-17)18(19,20)21/h2-5,7-8,10-11H,6,9,12-14H2,1H3
InChIKeyQABVAJUJTACHRX-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.04
Rot. Bonds8

About N-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine

N-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine (PubChem CID 139211014) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine
PubChem CID139211014
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC NameN-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine
SMILESCN(CCCc1ccccc1)CCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C18H21F3N2O/c1-23(12-6-9-15-7-3-2-4-8-15)13-14-24-17-11-5-10-16(22-17)18(19,20)21/h2-5,7-8,10-11H,6,9,12-14H2,1H3
InChIKeyQABVAJUJTACHRX-UHFFFAOYSA-N
XLogP4.04
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
The IUPAC name of N-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine (CID 139211014) is N-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
The canonical SMILES for N-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine is CN(CCCc1ccccc1)CCOc1cccc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
The InChIKey is QABVAJUJTACHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O/c1-23(12-6-9-15-7-3-2-4-8-15)13-14-24-17-11-5-10-16(22-17)18(19,20)21/h2-5,7-8,10-11H,6,9,12-14H2,1H3.
What are the key properties of N-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
N-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine has a molecular weight of 338.37 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine is sourced from PubChem (CID 139211014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).