1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine

C18H21NO2 — CID 69333373

IUPAC1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine
SMILESCOc1cccc(N2CCOC(C)Cc3ccccc32)c1
InChIInChI=1S/C18H21NO2/c1-14-12-15-6-3-4-9-18(15)19(10-11-21-14)16-7-5-8-17(13-16)20-2/h3-9,13-14H,10-12H2,1-2H3
InChIKeyQSLROVGUPPFXRK-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.79
Rot. Bonds2

About 1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine

1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine (PubChem CID 69333373) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine
PubChem CID69333373
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine
SMILESCOc1cccc(N2CCOC(C)Cc3ccccc32)c1
InChIInChI=1S/C18H21NO2/c1-14-12-15-6-3-4-9-18(15)19(10-11-21-14)16-7-5-8-17(13-16)20-2/h3-9,13-14H,10-12H2,1-2H3
InChIKeyQSLROVGUPPFXRK-UHFFFAOYSA-N
XLogP3.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-bromo-1-(4-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine
CID 69140278
8-cyclopropyl-5-methyl-1-[3-(trifluoromethoxy)phenyl]-2,3,5,6-tetrahydro-4,1-benzoxazocine
CID 69335717
9-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine
CID 68840094
2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one
CID 117008495
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
(2R)-3-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965416
(2S)-3-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965415
3-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-oxazolidine
CID 132658690
(2R)-2-[1-(2-ethoxyphenyl)pyrrol-3-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 99965464
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 7215206
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 126441036

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine?
The IUPAC name of 1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine (CID 69333373) is 1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine?
The canonical SMILES for 1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine is COc1cccc(N2CCOC(C)Cc3ccccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine?
The InChIKey is QSLROVGUPPFXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14-12-15-6-3-4-9-18(15)19(10-11-21-14)16-7-5-8-17(13-16)20-2/h3-9,13-14H,10-12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine?
1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine has a molecular weight of 283.37 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine is sourced from PubChem (CID 69333373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).