1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol

C19H23NO3 — CID 23968266

IUPAC1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol
SMILESCC(C)(C)NCC(O)COc1cccc2oc3ccccc3c12
InChIInChI=1S/C19H23NO3/c1-19(2,3)20-11-13(21)12-22-16-9-6-10-17-18(16)14-7-4-5-8-15(14)23-17/h4-10,13,20-21H,11-12H2,1-3H3
InChIKeyHGDYQUMVUUMEFM-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.71
Rot. Bonds5

About 1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol

1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol (PubChem CID 23968266) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol
PubChem CID23968266
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol
SMILESCC(C)(C)NCC(O)COc1cccc2oc3ccccc3c12
InChIInChI=1S/C19H23NO3/c1-19(2,3)20-11-13(21)12-22-16-9-6-10-17-18(16)14-7-4-5-8-15(14)23-17/h4-10,13,20-21H,11-12H2,1-3H3
InChIKeyHGDYQUMVUUMEFM-UHFFFAOYSA-N
XLogP3.71
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol (CID 23968266) is 1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol is CC(C)(C)NCC(O)COc1cccc2oc3ccccc3c12.
What is the InChIKey of 1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol?
The InChIKey is HGDYQUMVUUMEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-19(2,3)20-11-13(21)12-22-16-9-6-10-17-18(16)14-7-4-5-8-15(14)23-17/h4-10,13,20-21H,11-12H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol?
1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol has a molecular weight of 313.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol is sourced from PubChem (CID 23968266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).