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

C12H17F3N2O — CID 139211020

IUPACN-methyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine
SMILESCCCN(C)CCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N2O/c1-3-7-17(2)8-9-18-11-6-4-5-10(16-11)12(13,14)15/h4-6H,3,7-9H2,1-2H3
InChIKeyFVFMCJWWKFECQK-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.82
Rot. Bonds6

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

N-methyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine (PubChem CID 139211020) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-methyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine
PubChem CID139211020
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN-methyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine
SMILESCCCN(C)CCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N2O/c1-3-7-17(2)8-9-18-11-6-4-5-10(16-11)12(13,14)15/h4-6H,3,7-9H2,1-2H3
InChIKeyFVFMCJWWKFECQK-UHFFFAOYSA-N
XLogP2.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-6-(trifluoromethyl)pyridine
CID 46739474
2,6-Bis(2-(dimethylamino)ethoxy)pyridine
CID 96392
[(6-Methoxypyridin-2-yl)methyl](methyl)amine
CID 58863294
2-[(1-Methylpyrrolidin-2-yl)methoxy]pyridine
CID 23223052
2-(2-Pyrrolidin-1-yl-ethoxy)-pyridine
CID 44325655
2-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 44325897
Dimethyl-[2-(6-methyl-pyridin-3-yloxy)-ethyl]-amine
CID 44340957
2-(6-Bromopyridin-2-yloxy)-N,N-dimethylethan-amine
CID 46233349
2-(2-Pyridyloxy)ethyl(dimethyl)amine
CID 96499
2-Methoxy-6-methylpyridine
CID 5324773
Pyridine, 2-ethoxy-6-methyl-
CID 4738465
(6-Methoxypyridin-2-yl)methanamine
CID 13882973

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
The IUPAC name of N-methyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine (CID 139211020) is N-methyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine is CCCN(C)CCOc1cccc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
The InChIKey is FVFMCJWWKFECQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-3-7-17(2)8-9-18-11-6-4-5-10(16-11)12(13,14)15/h4-6H,3,7-9H2,1-2H3.
What are the key properties of N-methyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
N-methyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine has a molecular weight of 262.27 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine is sourced from PubChem (CID 139211020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).