[2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

C12H16F3N3O — CID 103530731

IUPAC[2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOC1CCN(c2nc(C(F)(F)F)ccc2CN)C1
InChIInChI=1S/C12H16F3N3O/c1-19-9-4-5-18(7-9)11-8(6-16)2-3-10(17-11)12(13,14)15/h2-3,9H,4-7,16H2,1H3
InChIKeyKGZFEZYQTQKEQG-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.78
Rot. Bonds3

About [2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 103530731) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is [2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID103530731
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name[2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOC1CCN(c2nc(C(F)(F)F)ccc2CN)C1
InChIInChI=1S/C12H16F3N3O/c1-19-9-4-5-18(7-9)11-8(6-16)2-3-10(17-11)12(13,14)15/h2-3,9H,4-7,16H2,1H3
InChIKeyKGZFEZYQTQKEQG-UHFFFAOYSA-N
XLogP1.78
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 103534087
2-[1-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107227096
(E)-3-[2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 59598130
[2-(6-azaspiro[2.5]octan-6-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873373
[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79869055
2-(4-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876517
[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 107933093
[2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine
CID 103530729
2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine
CID 103540590
[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542321
4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 126855030
1-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63171615

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 103530731) is [2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is COC1CCN(c2nc(C(F)(F)F)ccc2CN)C1.
What is the InChIKey of [2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is KGZFEZYQTQKEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-19-9-4-5-18(7-9)11-8(6-16)2-3-10(17-11)12(13,14)15/h2-3,9H,4-7,16H2,1H3.
What are the key properties of [2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 275.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 103530731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).