7,8-dimethoxy-2H-3-benzazepine

C12H13NO2 — CID 175865153

IUPAC7,8-dimethoxy-2H-3-benzazepine
SMILESCOc1cc2c(cc1OC)=CCN=CC=2
InChIInChI=1S/C12H13NO2/c1-14-11-7-9-3-5-13-6-4-10(9)8-12(11)15-2/h3-5,7-8H,6H2,1-2H3
InChIKeyXNUZNMHAVHIJGI-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.35
Rot. Bonds2

About 7,8-dimethoxy-2H-3-benzazepine

7,8-dimethoxy-2H-3-benzazepine (PubChem CID 175865153) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7,8-dimethoxy-2H-3-benzazepine.

Molecular Properties

Compound Name7,8-dimethoxy-2H-3-benzazepine
PubChem CID175865153
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7,8-dimethoxy-2H-3-benzazepine
SMILESCOc1cc2c(cc1OC)=CCN=CC=2
InChIInChI=1S/C12H13NO2/c1-14-11-7-9-3-5-13-6-4-10(9)8-12(11)15-2/h3-5,7-8H,6H2,1-2H3
InChIKeyXNUZNMHAVHIJGI-UHFFFAOYSA-N
XLogP0.35
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-2H-3-benzazepine?
The IUPAC name of 7,8-dimethoxy-2H-3-benzazepine (CID 175865153) is 7,8-dimethoxy-2H-3-benzazepine.
What is the SMILES notation for 7,8-dimethoxy-2H-3-benzazepine?
The canonical SMILES for 7,8-dimethoxy-2H-3-benzazepine is COc1cc2c(cc1OC)=CCN=CC=2.
What is the InChIKey of 7,8-dimethoxy-2H-3-benzazepine?
The InChIKey is XNUZNMHAVHIJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-14-11-7-9-3-5-13-6-4-10(9)8-12(11)15-2/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 7,8-dimethoxy-2H-3-benzazepine?
7,8-dimethoxy-2H-3-benzazepine has a molecular weight of 203.24 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-2H-3-benzazepine is sourced from PubChem (CID 175865153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).