8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine

C11H15NO2 — CID 117246836

IUPAC8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine
SMILESCOc1ccc2c(c1)NCCCCO2
InChIInChI=1S/C11H15NO2/c1-13-9-4-5-11-10(8-9)12-6-2-3-7-14-11/h4-5,8,12H,2-3,6-7H2,1H3
InChIKeyUQLAFQQKSZWLEA-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.28
Rot. Bonds1

About 8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine

8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine (PubChem CID 117246836) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine.

Molecular Properties

Compound Name8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine
PubChem CID117246836
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine
SMILESCOc1ccc2c(c1)NCCCCO2
InChIInChI=1S/C11H15NO2/c1-13-9-4-5-11-10(8-9)12-6-2-3-7-14-11/h4-5,8,12H,2-3,6-7H2,1H3
InChIKeyUQLAFQQKSZWLEA-UHFFFAOYSA-N
XLogP2.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one
CID 84656764
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
7-methoxy-4H-1,4-benzoxazin-3-one;7-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 167586416
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43153234
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 10784455
(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
CID 82241529
8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 90351253
7,18,26,37-tetramethoxy-11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(34),2,3,5(10),6,8,15(20),16,18,21,22,24(29),25,27,35,37-hexadecaene
CID 163567046
(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809
7-bromo-6-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 118224660
5-(dimethylamino)-7-methoxy-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82244241
2-amino-1-(7-methoxy-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)ethanone
CID 84628159

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine?
The IUPAC name of 8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine (CID 117246836) is 8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine.
What is the SMILES notation for 8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine?
The canonical SMILES for 8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine is COc1ccc2c(c1)NCCCCO2.
What is the InChIKey of 8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine?
The InChIKey is UQLAFQQKSZWLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-9-4-5-11-10(8-9)12-6-2-3-7-14-11/h4-5,8,12H,2-3,6-7H2,1H3.
What are the key properties of 8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine?
8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine has a molecular weight of 193.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine is sourced from PubChem (CID 117246836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).