1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine

C12H15F3N2O — CID 114908402

IUPAC1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
SMILESFC(F)(F)c1ccc(CNCC2CCCO2)nc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-3-4-10(17-6-9)7-16-8-11-2-1-5-18-11/h3-4,6,11,16H,1-2,5,7-8H2
InChIKeyAHMBCMIEDOMJFJ-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.37
Rot. Bonds4

About 1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine

1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine (PubChem CID 114908402) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
PubChem CID114908402
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
SMILESFC(F)(F)c1ccc(CNCC2CCCO2)nc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-3-4-10(17-6-9)7-16-8-11-2-1-5-18-11/h3-4,6,11,16H,1-2,5,7-8H2
InChIKeyAHMBCMIEDOMJFJ-UHFFFAOYSA-N
XLogP2.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine
CID 61318522
N-(oxolan-2-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbothioamide
CID 46800492
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55526751
1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride
CID 17151637
5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine
CID 166719325
N-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60984970
N-[(1-methylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124559394
1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280433
1,1-dimethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 171822832
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 55116317
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 61015871
N-[(1-ethylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124932139

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine (CID 114908402) is 1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine is FC(F)(F)c1ccc(CNCC2CCCO2)nc1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?
The InChIKey is AHMBCMIEDOMJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)9-3-4-10(17-6-9)7-16-8-11-2-1-5-18-11/h3-4,6,11,16H,1-2,5,7-8H2.
What are the key properties of 1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?
1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine has a molecular weight of 260.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine is sourced from PubChem (CID 114908402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).