3-(aminomethyl)-5-phenylfuran-2-amine

C11H12N2O — CID 55255981

IUPAC3-(aminomethyl)-5-phenylfuran-2-amine
SMILESNCc1cc(-c2ccccc2)oc1N
InChIInChI=1S/C11H12N2O/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h1-6H,7,12-13H2
InChIKeyHBTIWDUYNSUFER-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.99
Rot. Bonds2

About 3-(aminomethyl)-5-phenylfuran-2-amine

3-(aminomethyl)-5-phenylfuran-2-amine (PubChem CID 55255981) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(aminomethyl)-5-phenylfuran-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-phenylfuran-2-amine
PubChem CID55255981
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(aminomethyl)-5-phenylfuran-2-amine
SMILESNCc1cc(-c2ccccc2)oc1N
InChIInChI=1S/C11H12N2O/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h1-6H,7,12-13H2
InChIKeyHBTIWDUYNSUFER-UHFFFAOYSA-N
XLogP1.99
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-phenylfuran-2-amine?
The IUPAC name of 3-(aminomethyl)-5-phenylfuran-2-amine (CID 55255981) is 3-(aminomethyl)-5-phenylfuran-2-amine.
What is the SMILES notation for 3-(aminomethyl)-5-phenylfuran-2-amine?
The canonical SMILES for 3-(aminomethyl)-5-phenylfuran-2-amine is NCc1cc(-c2ccccc2)oc1N.
What is the InChIKey of 3-(aminomethyl)-5-phenylfuran-2-amine?
The InChIKey is HBTIWDUYNSUFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h1-6H,7,12-13H2.
What are the key properties of 3-(aminomethyl)-5-phenylfuran-2-amine?
3-(aminomethyl)-5-phenylfuran-2-amine has a molecular weight of 188.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-phenylfuran-2-amine is sourced from PubChem (CID 55255981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).