1-(tert-butylamino)-3-(furan-2-yloxy)propan-2-ol

C11H19NO3 — CID 70043021

IUPAC1-(tert-butylamino)-3-(furan-2-yloxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccco1
InChIInChI=1S/C11H19NO3/c1-11(2,3)12-7-9(13)8-15-10-5-4-6-14-10/h4-6,9,12-13H,7-8H2,1-3H3
InChIKeyWJOREERXJPCBOG-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.41
Rot. Bonds5

About 1-(tert-butylamino)-3-(furan-2-yloxy)propan-2-ol

1-(tert-butylamino)-3-(furan-2-yloxy)propan-2-ol (PubChem CID 70043021) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(furan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(furan-2-yloxy)propan-2-ol
PubChem CID70043021
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(tert-butylamino)-3-(furan-2-yloxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccco1
InChIInChI=1S/C11H19NO3/c1-11(2,3)12-7-9(13)8-15-10-5-4-6-14-10/h4-6,9,12-13H,7-8H2,1-3H3
InChIKeyWJOREERXJPCBOG-UHFFFAOYSA-N
XLogP1.41
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Furan-3-ylmethoxy)-3-(propylamino)propan-2-ol
CID 57567629
2-(Furan-2-yloxy)-1-(methylamino)ethanol
CID 155793571
1-(Furan-2-yloxy)-3-(methylamino)propan-2-ol
CID 155793579
(2R,5R,8S,15S)-2-(furan-2-yloxymethyl)-5,8,15-trimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 58595878
N-ethyl-1-(furan-2-yloxy)propan-2-amine
CID 159349405
3-[(3-Methylfuran-2-yl)oxy]pyrrolidine
CID 165704715
3-(Furan-2-yloxy)pyrrolidine
CID 165882268

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(furan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(furan-2-yloxy)propan-2-ol (CID 70043021) is 1-(tert-butylamino)-3-(furan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(furan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(furan-2-yloxy)propan-2-ol is CC(C)(C)NCC(O)COc1ccco1.
What is the InChIKey of 1-(tert-butylamino)-3-(furan-2-yloxy)propan-2-ol?
The InChIKey is WJOREERXJPCBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)12-7-9(13)8-15-10-5-4-6-14-10/h4-6,9,12-13H,7-8H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(furan-2-yloxy)propan-2-ol?
1-(tert-butylamino)-3-(furan-2-yloxy)propan-2-ol has a molecular weight of 213.28 g/mol, XLogP of 1.41, 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-(furan-2-yloxy)propan-2-ol is sourced from PubChem (CID 70043021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).