10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine

C12H19NO2 — CID 70823939

IUPAC10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine
SMILESCOC1CC=CC2=C1OCCCN(C)C2
InChIInChI=1S/C12H19NO2/c1-13-7-4-8-15-12-10(9-13)5-3-6-11(12)14-2/h3,5,11H,4,6-9H2,1-2H3
InChIKeyMFCHBIPBYZWIRI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.57
Rot. Bonds1

About 10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine

10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine (PubChem CID 70823939) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine.

Molecular Properties

Compound Name10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine
PubChem CID70823939
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine
SMILESCOC1CC=CC2=C1OCCCN(C)C2
InChIInChI=1S/C12H19NO2/c1-13-7-4-8-15-12-10(9-13)5-3-6-11(12)14-2/h3,5,11H,4,6-9H2,1-2H3
InChIKeyMFCHBIPBYZWIRI-UHFFFAOYSA-N
XLogP1.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine?
The IUPAC name of 10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine (CID 70823939) is 10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine.
What is the SMILES notation for 10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine?
The canonical SMILES for 10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine is COC1CC=CC2=C1OCCCN(C)C2.
What is the InChIKey of 10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine?
The InChIKey is MFCHBIPBYZWIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-13-7-4-8-15-12-10(9-13)5-3-6-11(12)14-2/h3,5,11H,4,6-9H2,1-2H3.
What are the key properties of 10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine?
10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine has a molecular weight of 209.29 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine is sourced from PubChem (CID 70823939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).