1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine

C14H19F3N2O — CID 75516302

IUPAC1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCC(NCc1ncccc1C(F)(F)F)C1CCCO1
InChIInChI=1S/C14H19F3N2O/c1-2-11(13-6-4-8-20-13)19-9-12-10(14(15,16)17)5-3-7-18-12/h3,5,7,11,13,19H,2,4,6,8-9H2,1H3
InChIKeyVCGPBNRDPPYQHL-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.15
Rot. Bonds5

About 1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine

1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 75516302) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID75516302
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCC(NCc1ncccc1C(F)(F)F)C1CCCO1
InChIInChI=1S/C14H19F3N2O/c1-2-11(13-6-4-8-20-13)19-9-12-10(14(15,16)17)5-3-7-18-12/h3,5,7,11,13,19H,2,4,6,8-9H2,1H3
InChIKeyVCGPBNRDPPYQHL-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine (CID 75516302) is 1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine is CCC(NCc1ncccc1C(F)(F)F)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is VCGPBNRDPPYQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-11(13-6-4-8-20-13)19-9-12-10(14(15,16)17)5-3-7-18-12/h3,5,7,11,13,19H,2,4,6,8-9H2,1H3.
What are the key properties of 1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine?
1-(oxolan-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 288.31 g/mol, XLogP of 3.15, 5 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-[[3-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 75516302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).