1-amino-3-(furan-2-ylmethoxy)propan-2-ol

C8H13NO3 — CID 2771928

IUPAC1-amino-3-(furan-2-ylmethoxy)propan-2-ol
SMILESNCC(O)COCc1ccco1
InChIInChI=1S/C8H13NO3/c9-4-7(10)5-11-6-8-2-1-3-12-8/h1-3,7,10H,4-6,9H2
InChIKeyQRELYEUKSFYFRQ-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.12
Rot. Bonds5

About 1-amino-3-(furan-2-ylmethoxy)propan-2-ol

1-amino-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 2771928) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-amino-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID2771928
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-amino-3-(furan-2-ylmethoxy)propan-2-ol
SMILESNCC(O)COCc1ccco1
InChIInChI=1S/C8H13NO3/c9-4-7(10)5-11-6-8-2-1-3-12-8/h1-3,7,10H,4-6,9H2
InChIKeyQRELYEUKSFYFRQ-UHFFFAOYSA-N
XLogP0.12
TPSA68.62 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 ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(furan-2-ylmethoxy)propan-2-ol (CID 2771928) is 1-amino-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(furan-2-ylmethoxy)propan-2-ol is NCC(O)COCc1ccco1.
What is the InChIKey of 1-amino-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is QRELYEUKSFYFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c9-4-7(10)5-11-6-8-2-1-3-12-8/h1-3,7,10H,4-6,9H2.
What are the key properties of 1-amino-3-(furan-2-ylmethoxy)propan-2-ol?
1-amino-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 171.20 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 2771928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).