4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol

C13H23NO4 — CID 113376215

IUPAC4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol
SMILESCC(O)CC(C)NCC(O)COCc1ccco1
InChIInChI=1S/C13H23NO4/c1-10(6-11(2)15)14-7-12(16)8-17-9-13-4-3-5-18-13/h3-5,10-12,14-16H,6-9H2,1-2H3
InChIKeyPATQPBZNKYOPAB-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.91
Rot. Bonds9

About 4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol

4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol (PubChem CID 113376215) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol.

Molecular Properties

Compound Name4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol
PubChem CID113376215
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol
SMILESCC(O)CC(C)NCC(O)COCc1ccco1
InChIInChI=1S/C13H23NO4/c1-10(6-11(2)15)14-7-12(16)8-17-9-13-4-3-5-18-13/h3-5,10-12,14-16H,6-9H2,1-2H3
InChIKeyPATQPBZNKYOPAB-UHFFFAOYSA-N
XLogP0.91
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol with MolForge

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Related Compounds

2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol
CID 61245995
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 81352394
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 81388401
1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62306419
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
1-(furan-2-ylmethoxy)-3-(2-methoxyethoxyamino)propan-2-ol
CID 82721549
1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol
CID 60899568
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
1-(furan-2-ylmethoxy)-3-[(2-methylcyclopropyl)amino]propan-2-ol
CID 62397757

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol?
The IUPAC name of 4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol (CID 113376215) is 4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol.
What is the SMILES notation for 4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol?
The canonical SMILES for 4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol is CC(O)CC(C)NCC(O)COCc1ccco1.
What is the InChIKey of 4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol?
The InChIKey is PATQPBZNKYOPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-10(6-11(2)15)14-7-12(16)8-17-9-13-4-3-5-18-13/h3-5,10-12,14-16H,6-9H2,1-2H3.
What are the key properties of 4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol?
4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol has a molecular weight of 257.33 g/mol, XLogP of 0.91, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol is sourced from PubChem (CID 113376215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).