1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine

C10H13F3N2O — CID 112584686

IUPAC1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O/c1-2-8(14)9-4-3-7(5-15-9)16-6-10(11,12)13/h3-5,8H,2,6,14H2,1H3
InChIKeyMCWUJGPHTVOQDQ-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.43
Rot. Bonds4

About 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine

1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine (PubChem CID 112584686) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine
PubChem CID112584686
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O/c1-2-8(14)9-4-3-7(5-15-9)16-6-10(11,12)13/h3-5,8H,2,6,14H2,1H3
InChIKeyMCWUJGPHTVOQDQ-UHFFFAOYSA-N
XLogP2.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine
CID 91558909
(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine
CID 113355207
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
CID 103937876
(1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine
CID 103937797
(1S)-1-[5-(4-bromophenoxy)-2-pyridinyl]propan-1-amine
CID 103937759
(1S)-1-[5-(4-iodophenoxy)-2-pyridinyl]propan-1-amine
CID 103937836
1-[5-(cyclopentylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584937
1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]propan-1-amine
CID 112584730
(1S)-1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937870
(1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine
CID 103937833
(1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 103937928
(1S)-1-[5-(4-chloro-3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103938051

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine (CID 112584686) is 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine is CCC(N)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is MCWUJGPHTVOQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-2-8(14)9-4-3-7(5-15-9)16-6-10(11,12)13/h3-5,8H,2,6,14H2,1H3.
What are the key properties of 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine?
1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 234.22 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 112584686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).