2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate

C17H17NO3 — CID 65445543

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate
SMILESNc1ccc(C(=O)OCCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C17H17NO3/c18-15-4-2-13(3-5-15)17(19)21-9-7-12-1-6-16-14(11-12)8-10-20-16/h1-6,11H,7-10,18H2
InChIKeyVJQBUTDPSUVAEQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.60
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate

2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate (PubChem CID 65445543) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate
PubChem CID65445543
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate
SMILESNc1ccc(C(=O)OCCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C17H17NO3/c18-15-4-2-13(3-5-15)17(19)21-9-7-12-1-6-16-14(11-12)8-10-20-16/h1-6,11H,7-10,18H2
InChIKeyVJQBUTDPSUVAEQ-UHFFFAOYSA-N
XLogP2.60
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
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

pent-3-ynyl 2,3-dihydro-1-benzofuran-5-carboxylate
CID 75453200
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate
CID 83210158
4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 103009282
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638
O-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydroxylamine
CID 83698233
1-(5-amino-2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116602879
butyl 4-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 46586124
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760
N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63233821
methyl 4-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzoate
CID 51075520
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
methyl 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 9126421

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate (CID 65445543) is 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate is Nc1ccc(C(=O)OCCc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate?
The InChIKey is VJQBUTDPSUVAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c18-15-4-2-13(3-5-15)17(19)21-9-7-12-1-6-16-14(11-12)8-10-20-16/h1-6,11H,7-10,18H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate?
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate has a molecular weight of 283.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-aminobenzoate is sourced from PubChem (CID 65445543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).