(1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine

C17H18FNO2 — CID 107718132

IUPAC(1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCC2Cc3ccccc3O2)cc1F
InChIInChI=1S/C17H18FNO2/c1-11(19)15-7-6-13(9-16(15)18)20-10-14-8-12-4-2-3-5-17(12)21-14/h2-7,9,11,14H,8,10,19H2,1H3/t11-,14?/m1/s1
InChIKeyKPFXMCJTNIKUJQ-YNODCEANSA-N
MW287.33 g/mol
LogP3.23
Rot. Bonds4

About (1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine

(1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine (PubChem CID 107718132) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine
PubChem CID107718132
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCC2Cc3ccccc3O2)cc1F
InChIInChI=1S/C17H18FNO2/c1-11(19)15-7-6-13(9-16(15)18)20-10-14-8-12-4-2-3-5-17(12)21-14/h2-7,9,11,14H,8,10,19H2,1H3/t11-,14?/m1/s1
InChIKeyKPFXMCJTNIKUJQ-YNODCEANSA-N
XLogP3.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine (CID 107718132) is (1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine is C[C@@H](N)c1ccc(OCC2Cc3ccccc3O2)cc1F.
What is the InChIKey of (1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine?
The InChIKey is KPFXMCJTNIKUJQ-YNODCEANSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11(19)15-7-6-13(9-16(15)18)20-10-14-8-12-4-2-3-5-17(12)21-14/h2-7,9,11,14H,8,10,19H2,1H3/t11-,14?/m1/s1.
What are the key properties of (1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine?
(1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine has a molecular weight of 287.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine is sourced from PubChem (CID 107718132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).