[(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine

C14H13FN2O — CID 125172610

IUPAC[(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2c(F)ccc(-c3ccncc3)c2O1
InChIInChI=1S/C14H13FN2O/c15-13-2-1-11(9-3-5-17-6-4-9)14-12(13)7-10(8-16)18-14/h1-6,10H,7-8,16H2/t10-/m1/s1
InChIKeyVZFYXZQFTHJRLU-SNVBAGLBSA-N
MW244.27 g/mol
LogP2.15
Rot. Bonds2

About [(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 125172610) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is [(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID125172610
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name[(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2c(F)ccc(-c3ccncc3)c2O1
InChIInChI=1S/C14H13FN2O/c15-13-2-1-11(9-3-5-17-6-4-9)14-12(13)7-10(8-16)18-14/h1-6,10H,7-8,16H2/t10-/m1/s1
InChIKeyVZFYXZQFTHJRLU-SNVBAGLBSA-N
XLogP2.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 125172610) is [(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine is NC[C@H]1Cc2c(F)ccc(-c3ccncc3)c2O1.
What is the InChIKey of [(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is VZFYXZQFTHJRLU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-13-2-1-11(9-3-5-17-6-4-9)14-12(13)7-10(8-16)18-14/h1-6,10H,7-8,16H2/t10-/m1/s1.
What are the key properties of [(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 244.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 125172610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).