6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine

C12H17NO — CID 82158148

IUPAC6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCOc1ccc(C)c2c1CCCCN2
InChIInChI=1S/C12H17NO/c1-9-6-7-11(14-2)10-5-3-4-8-13-12(9)10/h6-7,13H,3-5,8H2,1-2H3
InChIKeyVUCINJLMQKNPQI-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.75
Rot. Bonds1

About 6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine

6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 82158148) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID82158148
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCOc1ccc(C)c2c1CCCCN2
InChIInChI=1S/C12H17NO/c1-9-6-7-11(14-2)10-5-3-4-8-13-12(9)10/h6-7,13H,3-5,8H2,1-2H3
InChIKeyVUCINJLMQKNPQI-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide
CID 165450684
9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 82396298
5-(2-chloroethyl)-8-methoxy-1,2,3,4-tetrahydroquinoline
CID 54084258
6-bromo-7-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
CID 67827017
5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667978
5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole
CID 22506880
ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416816
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619364
6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol
CID 84656926
5-chloro-1-methoxy-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 62735461
6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline
CID 119053876

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of 6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 82158148) is 6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine is COc1ccc(C)c2c1CCCCN2.
What is the InChIKey of 6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is VUCINJLMQKNPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-6-7-11(14-2)10-5-3-4-8-13-12(9)10/h6-7,13H,3-5,8H2,1-2H3.
What are the key properties of 6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine?
6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 191.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 82158148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).