8-Methoxy-3-(2-morpholin-4-yl-ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylamine

HCID 67264136

Notes Reactions

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Basic information

Standard SMILES: COc1cc2c(cc1N)CCN(CCN1CCOCC1)CC2
InChIKey: XUVRDOAUZUTWKZ-UHFFFAOYSA-N
Molecular formula: C17H27N3O2
Average molar mass: 305.4 g/mol
Monoisotopic mass: 305.21032711

Names & identifiers

Preferred name: 8-Methoxy-3-(2-morpholin-4-yl-ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylamine
IUPAC: 7-methoxy-3-(2-morpholin-4-ylethyl)-1,2,4,5-tetrahydro-3-benzazepin-8-amine

Names & synonyms

SCHEMBL2061715XUVRDOAUZUTWKZ-UHFFFAOYSA-N8-Methoxy-3-(2-morpholin-4-yl-ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylamine

Database identifiers

PubChem CID: 67264136

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 51 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 336

Related reactions

20 records

New reaction record

HRID 143988As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 214830As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 306482As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 814728As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 832684As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1041515As reactantuspto-grants-2013_10

HRID 1041516As reactantuspto-grants-2013_10

HRID 1041517As reactantuspto-grants-2013_10

Compound notes

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