(1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol

C14H19NO2 — CID 3246308

IUPAC(1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NCC[C@@H](O)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO2/c1-10(2)15-8-7-12(16)14-9-11-5-3-4-6-13(11)17-14/h3-6,9-10,12,15-16H,7-8H2,1-2H3/t12-/m1/s1
InChIKeyHTVNMYNZIULXPX-GFCCVEGCSA-N
MW233.31 g/mol
LogP2.85
Rot. Bonds5

About (1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol

(1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol (PubChem CID 3246308) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol
PubChem CID3246308
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NCC[C@@H](O)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO2/c1-10(2)15-8-7-12(16)14-9-11-5-3-4-6-13(11)17-14/h3-6,9-10,12,15-16H,7-8H2,1-2H3/t12-/m1/s1
InChIKeyHTVNMYNZIULXPX-GFCCVEGCSA-N
XLogP2.85
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol?
The IUPAC name of (1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol (CID 3246308) is (1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for (1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for (1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol is CC(C)NCC[C@@H](O)c1cc2ccccc2o1.
What is the InChIKey of (1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol?
The InChIKey is HTVNMYNZIULXPX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)15-8-7-12(16)14-9-11-5-3-4-6-13(11)17-14/h3-6,9-10,12,15-16H,7-8H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol?
(1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 3246308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).