2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine

C13H19FN2O — CID 146312314

IUPAC2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine
SMILESC=C(C)C1=CC(OC(C)F)NC(C(=C)C)=C1N
InChIInChI=1S/C13H19FN2O/c1-7(2)10-6-11(17-9(5)14)16-13(8(3)4)12(10)15/h6,9,11,16H,1,3,15H2,2,4-5H3
InChIKeyNBVJZMPVRNNRDP-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.50
Rot. Bonds4

About 2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine

2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine (PubChem CID 146312314) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine
PubChem CID146312314
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine
SMILESC=C(C)C1=CC(OC(C)F)NC(C(=C)C)=C1N
InChIInChI=1S/C13H19FN2O/c1-7(2)10-6-11(17-9(5)14)16-13(8(3)4)12(10)15/h6,9,11,16H,1,3,15H2,2,4-5H3
InChIKeyNBVJZMPVRNNRDP-UHFFFAOYSA-N
XLogP2.50
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine?
The IUPAC name of 2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine (CID 146312314) is 2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine?
The canonical SMILES for 2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine is C=C(C)C1=CC(OC(C)F)NC(C(=C)C)=C1N.
What is the InChIKey of 2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine?
The InChIKey is NBVJZMPVRNNRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-7(2)10-6-11(17-9(5)14)16-13(8(3)4)12(10)15/h6,9,11,16H,1,3,15H2,2,4-5H3.
What are the key properties of 2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine?
2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine has a molecular weight of 238.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethoxy)-4,6-bis(prop-1-en-2-yl)-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 146312314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).