3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol

C14H18N2O3 — CID 70194710

IUPAC3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol
SMILESCNc1cc(CC(O)CO)cc(-c2ccco2)c1N
InChIInChI=1S/C14H18N2O3/c1-16-12-7-9(5-10(18)8-17)6-11(14(12)15)13-3-2-4-19-13/h2-4,6-7,10,16-18H,5,8,15H2,1H3
InChIKeyFXZVNUWGYSDQHW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.47
Rot. Bonds5

About 3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol

3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol (PubChem CID 70194710) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol
PubChem CID70194710
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol
SMILESCNc1cc(CC(O)CO)cc(-c2ccco2)c1N
InChIInChI=1S/C14H18N2O3/c1-16-12-7-9(5-10(18)8-17)6-11(14(12)15)13-3-2-4-19-13/h2-4,6-7,10,16-18H,5,8,15H2,1H3
InChIKeyFXZVNUWGYSDQHW-UHFFFAOYSA-N
XLogP1.47
TPSA91.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol?
The IUPAC name of 3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol (CID 70194710) is 3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol.
What is the SMILES notation for 3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol?
The canonical SMILES for 3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol is CNc1cc(CC(O)CO)cc(-c2ccco2)c1N.
What is the InChIKey of 3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol?
The InChIKey is FXZVNUWGYSDQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16-12-7-9(5-10(18)8-17)6-11(14(12)15)13-3-2-4-19-13/h2-4,6-7,10,16-18H,5,8,15H2,1H3.
What are the key properties of 3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol?
3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol has a molecular weight of 262.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-3-(furan-2-yl)-5-(methylamino)phenyl]propane-1,2-diol is sourced from PubChem (CID 70194710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).