1-(furan-2-yloxy)-3-(methylamino)propan-2-ol

C8H13NO3 — CID 155793579

IUPAC1-(furan-2-yloxy)-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1ccco1
InChIInChI=1S/C8H13NO3/c1-9-5-7(10)6-12-8-3-2-4-11-8/h2-4,7,9-10H,5-6H2,1H3
InChIKeyNTZCVSCMVMUCSQ-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.24
Rot. Bonds5

About 1-(furan-2-yloxy)-3-(methylamino)propan-2-ol

1-(furan-2-yloxy)-3-(methylamino)propan-2-ol (PubChem CID 155793579) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(furan-2-yloxy)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-yloxy)-3-(methylamino)propan-2-ol
PubChem CID155793579
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-(furan-2-yloxy)-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1ccco1
InChIInChI=1S/C8H13NO3/c1-9-5-7(10)6-12-8-3-2-4-11-8/h2-4,7,9-10H,5-6H2,1H3
InChIKeyNTZCVSCMVMUCSQ-UHFFFAOYSA-N
XLogP0.24
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yloxy)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(furan-2-yloxy)-3-(methylamino)propan-2-ol (CID 155793579) is 1-(furan-2-yloxy)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(furan-2-yloxy)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(furan-2-yloxy)-3-(methylamino)propan-2-ol is CNCC(O)COc1ccco1.
What is the InChIKey of 1-(furan-2-yloxy)-3-(methylamino)propan-2-ol?
The InChIKey is NTZCVSCMVMUCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-9-5-7(10)6-12-8-3-2-4-11-8/h2-4,7,9-10H,5-6H2,1H3.
What are the key properties of 1-(furan-2-yloxy)-3-(methylamino)propan-2-ol?
1-(furan-2-yloxy)-3-(methylamino)propan-2-ol has a molecular weight of 171.20 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yloxy)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 155793579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).