6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine

C13H19NO2 — CID 83691109

IUPAC6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCOc1ccc2c(c1OC)CCCNC2C
InChIInChI=1S/C13H19NO2/c1-9-10-6-7-12(15-2)13(16-3)11(10)5-4-8-14-9/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeyLRVDXMSDAKEGLI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.30
Rot. Bonds2

About 6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine

6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 83691109) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID83691109
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCOc1ccc2c(c1OC)CCCNC2C
InChIInChI=1S/C13H19NO2/c1-9-10-6-7-12(15-2)13(16-3)11(10)5-4-8-14-9/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeyLRVDXMSDAKEGLI-UHFFFAOYSA-N
XLogP2.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83377554
5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3964850
1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol
CID 23730575
6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83820244
2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole
CID 129362563
1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141227278
5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 10561783
2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3327080
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 77131807

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 83691109) is 6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine is COc1ccc2c(c1OC)CCCNC2C.
What is the InChIKey of 6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is LRVDXMSDAKEGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-10-6-7-12(15-2)13(16-3)11(10)5-4-8-14-9/h6-7,9,14H,4-5,8H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 221.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 83691109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).