1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine

C14H19NO — CID 114475780

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)C1COc2ccccc21
InChIInChI=1S/C14H19NO/c1-10(2)7-8-13(15)12-9-16-14-6-4-3-5-11(12)14/h3-6,12-13H,1,7-9,15H2,2H3
InChIKeyIAYDCJIYNXVINL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.85
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine

1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine (PubChem CID 114475780) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine
PubChem CID114475780
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)C1COc2ccccc21
InChIInChI=1S/C14H19NO/c1-10(2)7-8-13(15)12-9-16-14-6-4-3-5-11(12)14/h3-6,12-13H,1,7-9,15H2,2H3
InChIKeyIAYDCJIYNXVINL-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine (CID 114475780) is 1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine is C=C(C)CCC(N)C1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine?
The InChIKey is IAYDCJIYNXVINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)7-8-13(15)12-9-16-14-6-4-3-5-11(12)14/h3-6,12-13H,1,7-9,15H2,2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine?
1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine is sourced from PubChem (CID 114475780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).