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

C12H17NO2 — CID 83820244

IUPAC6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCOc1ccc2c(c1OC)CCCNC2
InChIInChI=1S/C12H17NO2/c1-14-11-6-5-9-8-13-7-3-4-10(9)12(11)15-2/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeyMFAVCMMTCUOHQE-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.74
Rot. Bonds2

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

6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 83820244) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID83820244
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCOc1ccc2c(c1OC)CCCNC2
InChIInChI=1S/C12H17NO2/c1-14-11-6-5-9-8-13-7-3-4-10(9)12(11)15-2/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeyMFAVCMMTCUOHQE-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83874749
6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 160634725
5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 84656591
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 162309445
5-methoxy-6-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydroisoquinoline
CID 118940185
5-methoxy-6-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 162334890
7,8,9-trimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 609958
4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 101488870
6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83691109
6-methoxy-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 59585598
(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl) acetate
CID 11775678

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 83820244) is 6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine is COc1ccc2c(c1OC)CCCNC2.
What is the InChIKey of 6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is MFAVCMMTCUOHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-11-6-5-9-8-13-7-3-4-10(9)12(11)15-2/h5-6,13H,3-4,7-8H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 207.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 83820244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).