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

C17H22N2O2 — CID 63189063

IUPAC1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-methylfuran-2-yl)propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CCOc3ccccc3C2)o1
InChIInChI=1S/C17H22N2O2/c1-12-7-8-16(21-12)17(13(2)18)19-9-10-20-15-6-4-3-5-14(15)11-19/h3-8,13,17H,9-11,18H2,1-2H3
InChIKeyBDVVBRXHAXPBJY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.87
Rot. Bonds3

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

1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-methylfuran-2-yl)propan-2-amine (PubChem CID 63189063) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-methylfuran-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-methylfuran-2-yl)propan-2-amine
PubChem CID63189063
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-methylfuran-2-yl)propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CCOc3ccccc3C2)o1
InChIInChI=1S/C17H22N2O2/c1-12-7-8-16(21-12)17(13(2)18)19-9-10-20-15-6-4-3-5-14(15)11-19/h3-8,13,17H,9-11,18H2,1-2H3
InChIKeyBDVVBRXHAXPBJY-UHFFFAOYSA-N
XLogP2.87
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-methylfuran-2-yl)propan-2-amine?
The IUPAC name of 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-methylfuran-2-yl)propan-2-amine (CID 63189063) is 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-methylfuran-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-methylfuran-2-yl)propan-2-amine?
The canonical SMILES for 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-methylfuran-2-yl)propan-2-amine is Cc1ccc(C(C(C)N)N2CCOc3ccccc3C2)o1.
What is the InChIKey of 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-methylfuran-2-yl)propan-2-amine?
The InChIKey is BDVVBRXHAXPBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-7-8-16(21-12)17(13(2)18)19-9-10-20-15-6-4-3-5-14(15)11-19/h3-8,13,17H,9-11,18H2,1-2H3.
What are the key properties of 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-methylfuran-2-yl)propan-2-amine?
1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-methylfuran-2-yl)propan-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-methylfuran-2-yl)propan-2-amine is sourced from PubChem (CID 63189063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).