1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol

C9H15NO2 — CID 54594974

IUPAC1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol
SMILESCc1cc(C(C)(O)CN)c(C)o1
InChIInChI=1S/C9H15NO2/c1-6-4-8(7(2)12-6)9(3,11)5-10/h4,11H,5,10H2,1-3H3
InChIKeyIBRCIFMMJKHDPF-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.06
Rot. Bonds2

About 1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol

1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol (PubChem CID 54594974) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol
PubChem CID54594974
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol
SMILESCc1cc(C(C)(O)CN)c(C)o1
InChIInChI=1S/C9H15NO2/c1-6-4-8(7(2)12-6)9(3,11)5-10/h4,11H,5,10H2,1-3H3
InChIKeyIBRCIFMMJKHDPF-UHFFFAOYSA-N
XLogP1.06
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25312740
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CID 129767322
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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol?
The IUPAC name of 1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol (CID 54594974) is 1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol is Cc1cc(C(C)(O)CN)c(C)o1.
What is the InChIKey of 1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol?
The InChIKey is IBRCIFMMJKHDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-4-8(7(2)12-6)9(3,11)5-10/h4,11H,5,10H2,1-3H3.
What are the key properties of 1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol?
1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol has a molecular weight of 169.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol is sourced from PubChem (CID 54594974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).