(2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol

C14H20FNO2 — CID 71084507

IUPAC(2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol
SMILESCC(C)(C[C@@H](O)CN)c1cc(F)cc2c1OCC2
InChIInChI=1S/C14H20FNO2/c1-14(2,7-11(17)8-16)12-6-10(15)5-9-3-4-18-13(9)12/h5-6,11,17H,3-4,7-8,16H2,1-2H3/t11-/m1/s1
InChIKeyAYHSTYWQMWURLH-LLVKDONJSA-N
MW253.32 g/mol
LogP1.75
Rot. Bonds4

About (2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol

(2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol (PubChem CID 71084507) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol
PubChem CID71084507
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol
SMILESCC(C)(C[C@@H](O)CN)c1cc(F)cc2c1OCC2
InChIInChI=1S/C14H20FNO2/c1-14(2,7-11(17)8-16)12-6-10(15)5-9-3-4-18-13(9)12/h5-6,11,17H,3-4,7-8,16H2,1-2H3/t11-/m1/s1
InChIKeyAYHSTYWQMWURLH-LLVKDONJSA-N
XLogP1.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol?
The IUPAC name of (2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol (CID 71084507) is (2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol.
What is the SMILES notation for (2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol?
The canonical SMILES for (2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol is CC(C)(C[C@@H](O)CN)c1cc(F)cc2c1OCC2.
What is the InChIKey of (2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol?
The InChIKey is AYHSTYWQMWURLH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-14(2,7-11(17)8-16)12-6-10(15)5-9-3-4-18-13(9)12/h5-6,11,17H,3-4,7-8,16H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol?
(2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol has a molecular weight of 253.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol is sourced from PubChem (CID 71084507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).