N-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine

C13H18F2N2O — CID 67043216

IUPACN-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine
SMILESCCC1(CNc2nc(F)ccc2F)CCOCC1
InChIInChI=1S/C13H18F2N2O/c1-2-13(5-7-18-8-6-13)9-16-12-10(14)3-4-11(15)17-12/h3-4H,2,5-9H2,1H3,(H,16,17)
InChIKeyRJGOFKQOVPRARS-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.98
Rot. Bonds4

About N-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine

N-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine (PubChem CID 67043216) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine
PubChem CID67043216
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine
SMILESCCC1(CNc2nc(F)ccc2F)CCOCC1
InChIInChI=1S/C13H18F2N2O/c1-2-13(5-7-18-8-6-13)9-16-12-10(14)3-4-11(15)17-12/h3-4H,2,5-9H2,1H3,(H,16,17)
InChIKeyRJGOFKQOVPRARS-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine?
The IUPAC name of N-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine (CID 67043216) is N-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine.
What is the SMILES notation for N-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine?
The canonical SMILES for N-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine is CCC1(CNc2nc(F)ccc2F)CCOCC1.
What is the InChIKey of N-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine?
The InChIKey is RJGOFKQOVPRARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-2-13(5-7-18-8-6-13)9-16-12-10(14)3-4-11(15)17-12/h3-4H,2,5-9H2,1H3,(H,16,17).
What are the key properties of N-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine?
N-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine has a molecular weight of 256.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyloxan-4-yl)methyl]-3,6-difluoropyridin-2-amine is sourced from PubChem (CID 67043216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).