1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine

C13H17NO — CID 105004766

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine
SMILESCC(C)=CC(N)c1ccc2c(c1)COC2
InChIInChI=1S/C13H17NO/c1-9(2)5-13(14)10-3-4-11-7-15-8-12(11)6-10/h3-6,13H,7-8,14H2,1-2H3
InChIKeyZMCWEQPKNJAFRC-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.68
Rot. Bonds2

About 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine

1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine (PubChem CID 105004766) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine
PubChem CID105004766
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine
SMILESCC(C)=CC(N)c1ccc2c(c1)COC2
InChIInChI=1S/C13H17NO/c1-9(2)5-13(14)10-3-4-11-7-15-8-12(11)6-10/h3-6,13H,7-8,14H2,1-2H3
InChIKeyZMCWEQPKNJAFRC-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbut-2-en-1-amine
CID 105004605
1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine
CID 105000909
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 63019877
2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 82600093
1-(3-fluoro-4-methylphenyl)-3-methylbut-2-en-1-amine
CID 79190938
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methoxyethanamine
CID 105008898
1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol
CID 107002520
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
CID 63018997
1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine
CID 63020921
(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 115481937
1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbutan-1-ol
CID 63019372

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine (CID 105004766) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine is CC(C)=CC(N)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine?
The InChIKey is ZMCWEQPKNJAFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)5-13(14)10-3-4-11-7-15-8-12(11)6-10/h3-6,13H,7-8,14H2,1-2H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 105004766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).