9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

C11H15NO2 — CID 84619158

IUPAC9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
SMILESCOc1cccc2c1OCC(C)NC2
InChIInChI=1S/C11H15NO2/c1-8-7-14-11-9(6-12-8)4-3-5-10(11)13-2/h3-5,8,12H,6-7H2,1-2H3
InChIKeyBMBUVFTUGMCUAT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.57
Rot. Bonds1

About 9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine (PubChem CID 84619158) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine.

Molecular Properties

Compound Name9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
PubChem CID84619158
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
SMILESCOc1cccc2c1OCC(C)NC2
InChIInChI=1S/C11H15NO2/c1-8-7-14-11-9(6-12-8)4-3-5-10(11)13-2/h3-5,8,12H,6-7H2,1-2H3
InChIKeyBMBUVFTUGMCUAT-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 75480508
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
(3S)-N,N-dibutyl-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 129411882
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64687411
1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole
CID 84732148
2-bromo-5-methoxy-2,3-dihydro-1,4-benzodioxine
CID 167513731
(8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine
CID 84722416
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine
CID 163313873
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine
CID 72901612
4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
CID 97198058

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The IUPAC name of 9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine (CID 84619158) is 9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine.
What is the SMILES notation for 9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The canonical SMILES for 9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine is COc1cccc2c1OCC(C)NC2.
What is the InChIKey of 9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The InChIKey is BMBUVFTUGMCUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-7-14-11-9(6-12-8)4-3-5-10(11)13-2/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of 9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine?
9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine has a molecular weight of 193.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine is sourced from PubChem (CID 84619158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).