1-(5-phenylfuran-2-yl)ethanamine

C12H13NO — CID 3028403

IUPAC1-(5-phenylfuran-2-yl)ethanamine
SMILESCC(N)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C12H13NO/c1-9(13)11-7-8-12(14-11)10-5-3-2-4-6-10/h2-9H,13H2,1H3
InChIKeyUGRRSZFAOGWZNS-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.97
Rot. Bonds2

About 1-(5-phenylfuran-2-yl)ethanamine

1-(5-phenylfuran-2-yl)ethanamine (PubChem CID 3028403) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(5-phenylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-phenylfuran-2-yl)ethanamine
PubChem CID3028403
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(5-phenylfuran-2-yl)ethanamine
SMILESCC(N)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C12H13NO/c1-9(13)11-7-8-12(14-11)10-5-3-2-4-6-10/h2-9H,13H2,1H3
InChIKeyUGRRSZFAOGWZNS-UHFFFAOYSA-N
XLogP2.97
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylfuran-2-yl)ethanamine?
The IUPAC name of 1-(5-phenylfuran-2-yl)ethanamine (CID 3028403) is 1-(5-phenylfuran-2-yl)ethanamine.
What is the SMILES notation for 1-(5-phenylfuran-2-yl)ethanamine?
The canonical SMILES for 1-(5-phenylfuran-2-yl)ethanamine is CC(N)c1ccc(-c2ccccc2)o1.
What is the InChIKey of 1-(5-phenylfuran-2-yl)ethanamine?
The InChIKey is UGRRSZFAOGWZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9(13)11-7-8-12(14-11)10-5-3-2-4-6-10/h2-9H,13H2,1H3.
What are the key properties of 1-(5-phenylfuran-2-yl)ethanamine?
1-(5-phenylfuran-2-yl)ethanamine has a molecular weight of 187.24 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylfuran-2-yl)ethanamine is sourced from PubChem (CID 3028403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).