8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine

C15H21NO2 — CID 43174723

IUPAC8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine
SMILESCOc1ccc2c(c1)CCC1NC(C)(C)COC21
InChIInChI=1S/C15H21NO2/c1-15(2)9-18-14-12-6-5-11(17-3)8-10(12)4-7-13(14)16-15/h5-6,8,13-14,16H,4,7,9H2,1-3H3
InChIKeyRNTZMXAPDZFFMQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.45
Rot. Bonds1

About 8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine

8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine (PubChem CID 43174723) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine.

Molecular Properties

Compound Name8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine
PubChem CID43174723
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine
SMILESCOc1ccc2c(c1)CCC1NC(C)(C)COC21
InChIInChI=1S/C15H21NO2/c1-15(2)9-18-14-12-6-5-11(17-3)8-10(12)4-7-13(14)16-15/h5-6,8,13-14,16H,4,7,9H2,1-3H3
InChIKeyRNTZMXAPDZFFMQ-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine with MolForge

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Related Compounds

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2-[3-methoxy-2-(4-methoxyphenyl)phenyl]-4,4-dimethyl-1,3-oxazolidine
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(E)-3-cyclobutyl-1-(8-methoxy-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-4-yl)prop-2-en-1-one
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CID 82112973
2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
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(5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 125495690
(2S)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid;(2R)-2-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid
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(3aS,3bR,9bS,11aS)-7-methoxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydro-1H-naphtho[2,1-e][2]benzofuran
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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine?
The IUPAC name of 8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine (CID 43174723) is 8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine.
What is the SMILES notation for 8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine?
The canonical SMILES for 8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine is COc1ccc2c(c1)CCC1NC(C)(C)COC21.
What is the InChIKey of 8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine?
The InChIKey is RNTZMXAPDZFFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2)9-18-14-12-6-5-11(17-3)8-10(12)4-7-13(14)16-15/h5-6,8,13-14,16H,4,7,9H2,1-3H3.
What are the key properties of 8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine?
8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine has a molecular weight of 247.34 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine is sourced from PubChem (CID 43174723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).