7,8-dimethoxy-3-methyl-3-benzazepine

C13H15NO2 — CID 23462934

IUPAC7,8-dimethoxy-3-methyl-3-benzazepine
SMILESCOc1cc2c(cc1OC)C=CN(C)C=C2
InChIInChI=1S/C13H15NO2/c1-14-6-4-10-8-12(15-2)13(16-3)9-11(10)5-7-14/h4-9H,1-3H3
InChIKeyISCUTEBZIJBQCC-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.59
Rot. Bonds2

About 7,8-dimethoxy-3-methyl-3-benzazepine

7,8-dimethoxy-3-methyl-3-benzazepine (PubChem CID 23462934) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 7,8-dimethoxy-3-methyl-3-benzazepine.

Molecular Properties

Compound Name7,8-dimethoxy-3-methyl-3-benzazepine
PubChem CID23462934
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name7,8-dimethoxy-3-methyl-3-benzazepine
SMILESCOc1cc2c(cc1OC)C=CN(C)C=C2
InChIInChI=1S/C13H15NO2/c1-14-6-4-10-8-12(15-2)13(16-3)9-11(10)5-7-14/h4-9H,1-3H3
InChIKeyISCUTEBZIJBQCC-UHFFFAOYSA-N
XLogP2.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol
CID 140740894
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 628542
3-(3-chloropropyl)-7,8-dimethoxy-1,2-dihydro-3-benzazepine
CID 175722951
7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one
CID 12027017
7,8-dimethoxy-3-pentyl-1H-3-benzazepin-2-one
CID 123825761
3-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)propylchloranium
CID 144748292
3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one
CID 90268326
1-(3,4-dimethoxyphenyl)-2-hydroxy-6,7-dimethoxy-1H-isoquinoline;hydrochloride
CID 70630087
3-methoxy-1-methylpyrrole-2,5-diol
CID 91452563
3-[2-(1,3-dioxan-2-yl)ethyl]-7,8-dimethoxy-1H-3-benzazepin-2-one
CID 11530069
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-3-methyl-3-benzazepine?
The IUPAC name of 7,8-dimethoxy-3-methyl-3-benzazepine (CID 23462934) is 7,8-dimethoxy-3-methyl-3-benzazepine.
What is the SMILES notation for 7,8-dimethoxy-3-methyl-3-benzazepine?
The canonical SMILES for 7,8-dimethoxy-3-methyl-3-benzazepine is COc1cc2c(cc1OC)C=CN(C)C=C2.
What is the InChIKey of 7,8-dimethoxy-3-methyl-3-benzazepine?
The InChIKey is ISCUTEBZIJBQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-14-6-4-10-8-12(15-2)13(16-3)9-11(10)5-7-14/h4-9H,1-3H3.
What are the key properties of 7,8-dimethoxy-3-methyl-3-benzazepine?
7,8-dimethoxy-3-methyl-3-benzazepine has a molecular weight of 217.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-3-methyl-3-benzazepine is sourced from PubChem (CID 23462934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).