2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine

C16H15ClFNO2 — CID 87924184

IUPAC2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)c(Cl)cc1Oc1ccc2c(c1)CCO2
InChIInChI=1S/C16H15ClFNO2/c17-13-9-16(10(3-5-19)8-14(13)18)21-12-1-2-15-11(7-12)4-6-20-15/h1-2,7-9H,3-6,19H2
InChIKeyCDJMADCBQCHLBP-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.71
Rot. Bonds4

About 2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine

2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine (PubChem CID 87924184) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine
PubChem CID87924184
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)c(Cl)cc1Oc1ccc2c(c1)CCO2
InChIInChI=1S/C16H15ClFNO2/c17-13-9-16(10(3-5-19)8-14(13)18)21-12-1-2-15-11(7-12)4-6-20-15/h1-2,7-9H,3-6,19H2
InChIKeyCDJMADCBQCHLBP-UHFFFAOYSA-N
XLogP3.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine (CID 87924184) is 2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine is NCCc1cc(F)c(Cl)cc1Oc1ccc2c(c1)CCO2.
What is the InChIKey of 2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine?
The InChIKey is CDJMADCBQCHLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-13-9-16(10(3-5-19)8-14(13)18)21-12-1-2-15-11(7-12)4-6-20-15/h1-2,7-9H,3-6,19H2.
What are the key properties of 2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine?
2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine has a molecular weight of 307.75 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(2,3-dihydro-1-benzofuran-5-yloxy)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 87924184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).