2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone

C14H19NO2 — CID 75504724

IUPAC2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
SMILESCOCC(=O)N1CCCC(C)c2ccccc21
InChIInChI=1S/C14H19NO2/c1-11-6-5-9-15(14(16)10-17-2)13-8-4-3-7-12(11)13/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyOVKZRXHPDQMQKG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.56
Rot. Bonds2

About 2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone

2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone (PubChem CID 75504724) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
PubChem CID75504724
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
SMILESCOCC(=O)N1CCCC(C)c2ccccc21
InChIInChI=1S/C14H19NO2/c1-11-6-5-9-15(14(16)10-17-2)13-8-4-3-7-12(11)13/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyOVKZRXHPDQMQKG-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methoxyethanone
CID 104537325
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 104537346
5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide
CID 97305910
1-[(5R)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-3-(oxan-4-yloxy)propan-1-one
CID 97353453
1-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-3-(oxan-4-yloxy)propan-1-one
CID 97353454
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 71106683
1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 75403700
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-methoxypropan-1-one
CID 104537376
1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 75456510
2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119733412
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-ethoxyethanone
CID 114335676
2-(ethylamino)-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 113266315

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone?
The IUPAC name of 2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone (CID 75504724) is 2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone is COCC(=O)N1CCCC(C)c2ccccc21.
What is the InChIKey of 2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone?
The InChIKey is OVKZRXHPDQMQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-6-5-9-15(14(16)10-17-2)13-8-4-3-7-12(11)13/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of 2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone?
2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone is sourced from PubChem (CID 75504724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).