N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine

C16H15NO3 — CID 79218652

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine
SMILESc1ccc2c(c1)OCC2CNc1ccc2c(c1)OCO2
InChIInChI=1S/C16H15NO3/c1-2-4-14-13(3-1)11(9-18-14)8-17-12-5-6-15-16(7-12)20-10-19-15/h1-7,11,17H,8-10H2
InChIKeyJJEUDZNYBNGWOY-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.00
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine (PubChem CID 79218652) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine
PubChem CID79218652
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine
SMILESc1ccc2c(c1)OCC2CNc1ccc2c(c1)OCO2
InChIInChI=1S/C16H15NO3/c1-2-4-14-13(3-1)11(9-18-14)8-17-12-5-6-15-16(7-12)20-10-19-15/h1-7,11,17H,8-10H2
InChIKeyJJEUDZNYBNGWOY-UHFFFAOYSA-N
XLogP3.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 79218644
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline
CID 79226180
3,5-dichloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline
CID 107573888
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline
CID 79226500
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,5-difluoroaniline
CID 107611014
N-(1,3-benzodioxol-4-ylmethyl)-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 79218764
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline
CID 115756557
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile
CID 79226177
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79884045
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102805247

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine (CID 79218652) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine is c1ccc2c(c1)OCC2CNc1ccc2c(c1)OCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine?
The InChIKey is JJEUDZNYBNGWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-4-14-13(3-1)11(9-18-14)8-17-12-5-6-15-16(7-12)20-10-19-15/h1-7,11,17H,8-10H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine has a molecular weight of 269.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine is sourced from PubChem (CID 79218652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).