(2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine

C15H21NO2 — CID 113291906

About (2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine

(2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine (PubChem CID 113291906) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine.

Molecular Properties

• Compound Name: (2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine
• PubChem CID: 113291906
• Molecular Formula: C15H21NO2
• Molecular Weight: 247.34 g/mol
• Exact Mass: 247.16
• IUPAC Name: (2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine
• SMILES: CC/C(=C/c1cc2c(cc1OC)CC(C)O2)CN
• InChI: InChI=1S/C15H21NO2/c1-4-11(9-16)6-13-8-15-12(5-10(2)18-15)7-14(13)17-3/h6-8,10H,4-5,9,16H2,1-3H3/b11-6-
• InChIKey: AEYCCFHJVCQAOF-WDZFZDKYSA-N
• XLogP: 2.77
• TPSA: 44.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.34
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine?

The IUPAC name of (2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine (CID 113291906) is (2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine.

What is the SMILES notation for (2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine?

The canonical SMILES for (2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine is CC/C(=C/c1cc2c(cc1OC)CC(C)O2)CN.

What is the InChIKey of (2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine?

The InChIKey is AEYCCFHJVCQAOF-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-11(9-16)6-13-8-15-12(5-10(2)18-15)7-14(13)17-3/h6-8,10H,4-5,9,16H2,1-3H3/b11-6-.

What are the key properties of (2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine?

(2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylidene]butan-1-amine is sourced from PubChem (CID 113291906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).