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

C11H13NO — CID 70406652

IUPAC3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine
SMILESNC=CCC1Cc2ccccc2O1
InChIInChI=1S/C11H13NO/c12-7-3-5-10-8-9-4-1-2-6-11(9)13-10/h1-4,6-7,10H,5,8,12H2
InChIKeyCDXVEYOKWQSDDO-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.85
Rot. Bonds2

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

3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine (PubChem CID 70406652) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine
PubChem CID70406652
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine
SMILESNC=CCC1Cc2ccccc2O1
InChIInChI=1S/C11H13NO/c12-7-3-5-10-8-9-4-1-2-6-11(9)13-10/h1-4,6-7,10H,5,8,12H2
InChIKeyCDXVEYOKWQSDDO-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran
CID 102067628
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2,3-dihydro-1-benzofuran-2-ylmethyl(trimethyl)azanium
CID 3112651
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride
CID 44658129
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
CID 66363821
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-amine
CID 66363798

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine (CID 70406652) is 3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine is NC=CCC1Cc2ccccc2O1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine?
The InChIKey is CDXVEYOKWQSDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-7-3-5-10-8-9-4-1-2-6-11(9)13-10/h1-4,6-7,10H,5,8,12H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine?
3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine has a molecular weight of 175.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine is sourced from PubChem (CID 70406652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).