1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol

C15H20FNO2 — CID 114735205

IUPAC1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol
SMILESCC(C)(C)NCC(C)(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H20FNO2/c1-14(2,3)17-9-15(4,18)12-8-10-6-5-7-11(16)13(10)19-12/h5-8,17-18H,9H2,1-4H3
InChIKeyOJUZGCZMPYBPBJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.17
Rot. Bonds3

About 1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol

1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol (PubChem CID 114735205) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol
PubChem CID114735205
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol
SMILESCC(C)(C)NCC(C)(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H20FNO2/c1-14(2,3)17-9-15(4,18)12-8-10-6-5-7-11(16)13(10)19-12/h5-8,17-18H,9H2,1-4H3
InChIKeyOJUZGCZMPYBPBJ-UHFFFAOYSA-N
XLogP3.17
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol (CID 114735205) is 1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol is CC(C)(C)NCC(C)(O)c1cc2cccc(F)c2o1.
What is the InChIKey of 1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol?
The InChIKey is OJUZGCZMPYBPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-14(2,3)17-9-15(4,18)12-8-10-6-5-7-11(16)13(10)19-12/h5-8,17-18H,9H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol?
1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol has a molecular weight of 265.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol is sourced from PubChem (CID 114735205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).