N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine

C20H25ClN2O4 — CID 120509310

About N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine (PubChem CID 120509310) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine.

Molecular Properties

• Compound Name: N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
• PubChem CID: 120509310
• Molecular Formula: C20H25ClN2O4
• Molecular Weight: 392.88 g/mol
• Exact Mass: 392.15
• IUPAC Name: N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
• SMILES: Cc1ccc(C(CNCc2cc(Cl)c3c(c2)OCCO3)N2CCOCC2)o1
• InChI: InChI=1S/C20H25ClN2O4/c1-14-2-3-18(27-14)17(23-4-6-24-7-5-23)13-22-12-15-10-16(21)20-19(11-15)25-8-9-26-20/h2-3,10-11,17,22H,4-9,12-13H2,1H3
• InChIKey: BUHCAOLDBSXGII-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 56.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.88
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine?

The IUPAC name of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine (CID 120509310) is N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine.

What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine?

The canonical SMILES for N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine is Cc1ccc(C(CNCc2cc(Cl)c3c(c2)OCCO3)N2CCOCC2)o1.

What is the InChIKey of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine?

The InChIKey is BUHCAOLDBSXGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c1-14-2-3-18(27-14)17(23-4-6-24-7-5-23)13-22-12-15-10-16(21)20-19(11-15)25-8-9-26-20/h2-3,10-11,17,22H,4-9,12-13H2,1H3.

What are the key properties of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine?

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine has a molecular weight of 392.88 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 120509310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).