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

C11H13NO — CID 105000909

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine
SMILESC=CC(N)c1ccc2c(c1)COC2
InChIInChI=1S/C11H13NO/c1-2-11(12)8-3-4-9-6-13-7-10(9)5-8/h2-5,11H,1,6-7,12H2
InChIKeyOYRMAVIJCPECRS-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.90
Rot. Bonds2

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

1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine (PubChem CID 105000909) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine
PubChem CID105000909
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine
SMILESC=CC(N)c1ccc2c(c1)COC2
InChIInChI=1S/C11H13NO/c1-2-11(12)8-3-4-9-6-13-7-10(9)5-8/h2-5,11H,1,6-7,12H2
InChIKeyOYRMAVIJCPECRS-UHFFFAOYSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.90
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)-3-methylbut-2-en-1-amine
CID 105004766
(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
1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine
CID 107011642
2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 82600093
cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 65018267
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methoxyethanamine
CID 105008898
1,3-dihydro-2-benzofuran-5-yl(naphthalen-1-yl)methanamine
CID 63019163
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)-N,2-dimethylpropan-1-amine
CID 63018997
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 63021612

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine (CID 105000909) is 1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine is C=CC(N)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine?
The InChIKey is OYRMAVIJCPECRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-11(12)8-3-4-9-6-13-7-10(9)5-8/h2-5,11H,1,6-7,12H2.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine has a molecular weight of 175.23 g/mol, XLogP of 1.90, 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)prop-2-en-1-amine is sourced from PubChem (CID 105000909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).