2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine

C16H20N2O2 — CID 63189580

IUPAC2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCOc3ccccc3C2)o1
InChIInChI=1S/C16H20N2O2/c1-12-6-7-16(20-12)14(10-17)18-8-9-19-15-5-3-2-4-13(15)11-18/h2-7,14H,8-11,17H2,1H3
InChIKeyZVDWPEHLKLETNR-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.48
Rot. Bonds3

About 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine (PubChem CID 63189580) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine
PubChem CID63189580
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCOc3ccccc3C2)o1
InChIInChI=1S/C16H20N2O2/c1-12-6-7-16(20-12)14(10-17)18-8-9-19-15-5-3-2-4-13(15)11-18/h2-7,14H,8-11,17H2,1H3
InChIKeyZVDWPEHLKLETNR-UHFFFAOYSA-N
XLogP2.48
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine (CID 63189580) is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(CN)N2CCOc3ccccc3C2)o1.
What is the InChIKey of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine?
The InChIKey is ZVDWPEHLKLETNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-6-7-16(20-12)14(10-17)18-8-9-19-15-5-3-2-4-13(15)11-18/h2-7,14H,8-11,17H2,1H3.
What are the key properties of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine?
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 63189580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).