1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine

C18H20N2O — CID 79723785

IUPAC1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)CCC2N1CCOc2ccccc2C1
InChIInChI=1S/C18H20N2O/c19-15-6-7-16-13(11-15)5-8-17(16)20-9-10-21-18-4-2-1-3-14(18)12-20/h1-4,6-7,11,17H,5,8-10,12,19H2
InChIKeyWKOIXMCLGDISSZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.15
Rot. Bonds1

About 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine

1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 79723785) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine
PubChem CID79723785
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)CCC2N1CCOc2ccccc2C1
InChIInChI=1S/C18H20N2O/c19-15-6-7-16-13(11-15)5-8-17(16)20-9-10-21-18-4-2-1-3-14(18)12-20/h1-4,6-7,11,17H,5,8-10,12,19H2
InChIKeyWKOIXMCLGDISSZ-UHFFFAOYSA-N
XLogP3.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine (CID 79723785) is 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine is Nc1ccc2c(c1)CCC2N1CCOc2ccccc2C1.
What is the InChIKey of 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is WKOIXMCLGDISSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-15-6-7-16-13(11-15)5-8-17(16)20-9-10-21-18-4-2-1-3-14(18)12-20/h1-4,6-7,11,17H,5,8-10,12,19H2.
What are the key properties of 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine?
1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 280.37 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 79723785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).