8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine

C15H17FN2O — CID 165410285

IUPAC8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine
SMILESCNC.Fc1ccc2c(c1)CCc1ncccc1O2
InChIInChI=1S/C13H10FNO.C2H7N/c14-10-4-6-12-9(8-10)3-5-11-13(16-12)2-1-7-15-11;1-3-2/h1-2,4,6-8H,3,5H2;3H,1-2H3
InChIKeyKTUCOHIFHFPQDC-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.95
Rot. Bonds

About 8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine

8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine (PubChem CID 165410285) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine.

Molecular Properties

Compound Name8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine
PubChem CID165410285
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine
SMILESCNC.Fc1ccc2c(c1)CCc1ncccc1O2
InChIInChI=1S/C13H10FNO.C2H7N/c14-10-4-6-12-9(8-10)3-5-11-13(16-12)2-1-7-15-11;1-3-2/h1-2,4,6-8H,3,5H2;3H,1-2H3
InChIKeyKTUCOHIFHFPQDC-UHFFFAOYSA-N
XLogP2.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine?
The IUPAC name of 8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine (CID 165410285) is 8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine.
What is the SMILES notation for 8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine?
The canonical SMILES for 8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine is CNC.Fc1ccc2c(c1)CCc1ncccc1O2.
What is the InChIKey of 8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine?
The InChIKey is KTUCOHIFHFPQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO.C2H7N/c14-10-4-6-12-9(8-10)3-5-11-13(16-12)2-1-7-15-11;1-3-2/h1-2,4,6-8H,3,5H2;3H,1-2H3.
What are the key properties of 8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine?
8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine has a molecular weight of 260.31 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine is sourced from PubChem (CID 165410285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).