1-methoxy-2,3,4,5-tetrahydro-1-benzazepine

C11H15NO — CID 154059825

IUPAC1-methoxy-2,3,4,5-tetrahydro-1-benzazepine
SMILESCON1CCCCc2ccccc21
InChIInChI=1S/C11H15NO/c1-13-12-9-5-4-7-10-6-2-3-8-11(10)12/h2-3,6,8H,4-5,7,9H2,1H3
InChIKeyUNQIJQARSJLDAG-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.39
Rot. Bonds1

About 1-methoxy-2,3,4,5-tetrahydro-1-benzazepine

1-methoxy-2,3,4,5-tetrahydro-1-benzazepine (PubChem CID 154059825) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-methoxy-2,3,4,5-tetrahydro-1-benzazepine.

Molecular Properties

Compound Name1-methoxy-2,3,4,5-tetrahydro-1-benzazepine
PubChem CID154059825
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-methoxy-2,3,4,5-tetrahydro-1-benzazepine
SMILESCON1CCCCc2ccccc21
InChIInChI=1S/C11H15NO/c1-13-12-9-5-4-7-10-6-2-3-8-11(10)12/h2-3,6,8H,4-5,7,9H2,1H3
InChIKeyUNQIJQARSJLDAG-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine
CID 161272103
1-methoxysulfanyl-3,4-dihydro-2H-quinoline
CID 142496325
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
1-fluoro-3,4-dihydro-2H-quinoline
CID 141340619
1-oxido-3,4-dihydro-2H-quinoline
CID 18542548
4-iodo-2,3,5,6,7,8-hexahydro-1H-4-benzazecine
CID 170253488
5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 147804034
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
2-[(2-methylpropan-2-yl)oxy]-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 112605474

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3,4,5-tetrahydro-1-benzazepine?
The IUPAC name of 1-methoxy-2,3,4,5-tetrahydro-1-benzazepine (CID 154059825) is 1-methoxy-2,3,4,5-tetrahydro-1-benzazepine.
What is the SMILES notation for 1-methoxy-2,3,4,5-tetrahydro-1-benzazepine?
The canonical SMILES for 1-methoxy-2,3,4,5-tetrahydro-1-benzazepine is CON1CCCCc2ccccc21.
What is the InChIKey of 1-methoxy-2,3,4,5-tetrahydro-1-benzazepine?
The InChIKey is UNQIJQARSJLDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-13-12-9-5-4-7-10-6-2-3-8-11(10)12/h2-3,6,8H,4-5,7,9H2,1H3.
What are the key properties of 1-methoxy-2,3,4,5-tetrahydro-1-benzazepine?
1-methoxy-2,3,4,5-tetrahydro-1-benzazepine has a molecular weight of 177.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3,4,5-tetrahydro-1-benzazepine is sourced from PubChem (CID 154059825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).