2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate

C16H15NO3 — CID 79229255

IUPAC2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate
SMILESNc1ccc(C(=O)OCC2COc3ccccc32)cc1
InChIInChI=1S/C16H15NO3/c17-13-7-5-11(6-8-13)16(18)20-10-12-9-19-15-4-2-1-3-14(12)15/h1-8,12H,9-10,17H2
InChIKeyJAZHUGWRHBNQOD-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.60
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate

2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate (PubChem CID 79229255) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate
PubChem CID79229255
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate
SMILESNc1ccc(C(=O)OCC2COc3ccccc32)cc1
InChIInChI=1S/C16H15NO3/c17-13-7-5-11(6-8-13)16(18)20-10-12-9-19-15-4-2-1-3-14(12)15/h1-8,12H,9-10,17H2
InChIKeyJAZHUGWRHBNQOD-UHFFFAOYSA-N
XLogP2.60
TPSA61.55 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1-benzofuran-3-ylmethyl 2-amino-3-chlorobenzoate
CID 115547763
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
2,3-dihydro-1-benzofuran-3-ylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 79229818
2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate
CID 15732877
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline
CID 79226564
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzoate
CID 2318276
4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)cyclohexan-1-amine
CID 79230039
4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorobenzenecarbothioamide
CID 107665832
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79227118
4-(2,3-dihydro-1-benzofuran-3-yl)-2-methylbutanoic acid
CID 81008371
2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid
CID 114320330

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate?
The IUPAC name of 2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate (CID 79229255) is 2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate?
The canonical SMILES for 2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate is Nc1ccc(C(=O)OCC2COc3ccccc32)cc1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate?
The InChIKey is JAZHUGWRHBNQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c17-13-7-5-11(6-8-13)16(18)20-10-12-9-19-15-4-2-1-3-14(12)15/h1-8,12H,9-10,17H2.
What are the key properties of 2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate?
2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate has a molecular weight of 269.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate is sourced from PubChem (CID 79229255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).