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

C13H19F3N2O — CID 139211029

IUPACN,2-dimethyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine
SMILESCC(C)CN(C)CCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N2O/c1-10(2)9-18(3)7-8-19-12-6-4-5-11(17-12)13(14,15)16/h4-6,10H,7-9H2,1-3H3
InChIKeyYXRZPKVDSUDZEZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.07
Rot. Bonds6

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

N,2-dimethyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine (PubChem CID 139211029) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine
PubChem CID139211029
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN,2-dimethyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine
SMILESCC(C)CN(C)CCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N2O/c1-10(2)9-18(3)7-8-19-12-6-4-5-11(17-12)13(14,15)16/h4-6,10H,7-9H2,1-3H3
InChIKeyYXRZPKVDSUDZEZ-UHFFFAOYSA-N
XLogP3.07
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.07
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
Dimethyl-[2-(6-methyl-pyridin-3-yloxy)-ethyl]-amine
CID 44340957
2-(2-Pyridyloxy)ethyl(dimethyl)amine
CID 96499
2-Methoxy-6-methylpyridine
CID 5324773
Pyridine, 2-ethoxy-6-methyl-
CID 4738465
[6-(2,2,2-Trifluoroethoxy)pyridin-2-yl]methanamine
CID 62290450
(6-(Tert-butoxy)pyridin-2-yl)methanamine
CID 62290744
2-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}ethan-1-amine
CID 62347988
2-(6-(2,6-Dimethylphenyl)pyridin-2-yloxy)-N,Ndimethylethanamine
CID 46233351
2-[2-(Dimethylamino)ethyl]-4,8-dimethyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thione
CID 13726629

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine (CID 139211029) is N,2-dimethyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine is CC(C)CN(C)CCOc1cccc(C(F)(F)F)n1.
What is the InChIKey of N,2-dimethyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
The InChIKey is YXRZPKVDSUDZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-10(2)9-18(3)7-8-19-12-6-4-5-11(17-12)13(14,15)16/h4-6,10H,7-9H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine?
N,2-dimethyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine has a molecular weight of 276.30 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]propan-1-amine is sourced from PubChem (CID 139211029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).