2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine

C18H19NO2 — CID 114287478

IUPAC2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine
SMILESCOc1ccc2c(c1)C1Oc3cccc(C)c3NC1CC2
InChIInChI=1S/C18H19NO2/c1-11-4-3-5-16-17(11)19-15-9-7-12-6-8-13(20-2)10-14(12)18(15)21-16/h3-6,8,10,15,18-19H,7,9H2,1-2H3
InChIKeyBACQEOQJIPSHKH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.86
Rot. Bonds1

About 2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine

2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine (PubChem CID 114287478) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine.

Molecular Properties

Compound Name2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine
PubChem CID114287478
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine
SMILESCOc1ccc2c(c1)C1Oc3cccc(C)c3NC1CC2
InChIInChI=1S/C18H19NO2/c1-11-4-3-5-16-17(11)19-15-9-7-12-6-8-13(20-2)10-14(12)18(15)21-16/h3-6,8,10,15,18-19H,7,9H2,1-2H3
InChIKeyBACQEOQJIPSHKH-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115825652
(4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 67194889
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
2,7-dimethoxy-3,4-dihydro-2H-chromene
CID 14415640
(2S,7S)-14-methoxy-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene
CID 3068861
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
(1R,13S)-16-methoxy-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),4,6,8,14(19),15,17-heptaene-3,10-dione
CID 132839453
2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-6-methylbenzonitrile
CID 107803670
6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81363584
8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine
CID 43174723
1-benzyl-11-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine
CID 67909302

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine?
The IUPAC name of 2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine (CID 114287478) is 2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine.
What is the SMILES notation for 2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine?
The canonical SMILES for 2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine is COc1ccc2c(c1)C1Oc3cccc(C)c3NC1CC2.
What is the InChIKey of 2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine?
The InChIKey is BACQEOQJIPSHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-11-4-3-5-16-17(11)19-15-9-7-12-6-8-13(20-2)10-14(12)18(15)21-16/h3-6,8,10,15,18-19H,7,9H2,1-2H3.
What are the key properties of 2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine?
2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine has a molecular weight of 281.36 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine is sourced from PubChem (CID 114287478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).