7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride

C13H20ClNO2 — CID 23462892

IUPAC7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
SMILESCOc1cc2c(cc1OC)CCN(C)CC2.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-14-6-4-10-8-12(15-2)13(16-3)9-11(10)5-7-14;/h8-9H,4-7H2,1-3H3;1H
InChIKeyUTDMHRGGQYGAFZ-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.16
Rot. Bonds2

About 7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride

7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride (PubChem CID 23462892) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride.

Molecular Properties

Compound Name7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
PubChem CID23462892
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
SMILESCOc1cc2c(cc1OC)CCN(C)CC2.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-14-6-4-10-8-12(15-2)13(16-3)9-11(10)5-7-14;/h8-9H,4-7H2,1-3H3;1H
InChIKeyUTDMHRGGQYGAFZ-UHFFFAOYSA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 59441854
N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide
CID 59831493
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine;dihydrochloride
CID 23111955
17,18-dimethoxy-11-methyl-11-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,15,17-hexaene
CID 46217704
1-cyclopropyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 14939993
6,7-dimethoxy-2-methyl-1-methylidene-3,4-dihydroisoquinoline
CID 11063933
1-bromo-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 116995533
6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 22646
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide
CID 167049883
4-[2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline;hydrochloride
CID 21161757
6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 22673

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
The IUPAC name of 7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride (CID 23462892) is 7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride.
What is the SMILES notation for 7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
The canonical SMILES for 7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride is COc1cc2c(cc1OC)CCN(C)CC2.Cl.
What is the InChIKey of 7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
The InChIKey is UTDMHRGGQYGAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-14-6-4-10-8-12(15-2)13(16-3)9-11(10)5-7-14;/h8-9H,4-7H2,1-3H3;1H.
What are the key properties of 7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.16, 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-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride is sourced from PubChem (CID 23462892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).