2-methyl-5-phenylfuran-3-amine

C11H11NO — CID 68824327

IUPAC2-methyl-5-phenylfuran-3-amine
SMILESCc1oc(-c2ccccc2)cc1N
InChIInChI=1S/C11H11NO/c1-8-10(12)7-11(13-8)9-5-3-2-4-6-9/h2-7H,12H2,1H3
InChIKeyHFVQFCRWUFNGJF-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.84
Rot. Bonds1

About 2-methyl-5-phenylfuran-3-amine

2-methyl-5-phenylfuran-3-amine (PubChem CID 68824327) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-methyl-5-phenylfuran-3-amine.

Molecular Properties

Compound Name2-methyl-5-phenylfuran-3-amine
PubChem CID68824327
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name2-methyl-5-phenylfuran-3-amine
SMILESCc1oc(-c2ccccc2)cc1N
InChIInChI=1S/C11H11NO/c1-8-10(12)7-11(13-8)9-5-3-2-4-6-9/h2-7H,12H2,1H3
InChIKeyHFVQFCRWUFNGJF-UHFFFAOYSA-N
XLogP2.84
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenylfuran-3-amine?
The IUPAC name of 2-methyl-5-phenylfuran-3-amine (CID 68824327) is 2-methyl-5-phenylfuran-3-amine.
What is the SMILES notation for 2-methyl-5-phenylfuran-3-amine?
The canonical SMILES for 2-methyl-5-phenylfuran-3-amine is Cc1oc(-c2ccccc2)cc1N.
What is the InChIKey of 2-methyl-5-phenylfuran-3-amine?
The InChIKey is HFVQFCRWUFNGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-10(12)7-11(13-8)9-5-3-2-4-6-9/h2-7H,12H2,1H3.
What are the key properties of 2-methyl-5-phenylfuran-3-amine?
2-methyl-5-phenylfuran-3-amine has a molecular weight of 173.21 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenylfuran-3-amine is sourced from PubChem (CID 68824327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).