1-(furan-2-yl)-2-phenylethanamine

C12H13NO — CID 23009120

IUPAC1-(furan-2-yl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1ccco1
InChIInChI=1S/C12H13NO/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h1-8,11H,9,13H2
InChIKeyOFRPSIPXXNUCPX-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.52
Rot. Bonds3

About 1-(furan-2-yl)-2-phenylethanamine

1-(furan-2-yl)-2-phenylethanamine (PubChem CID 23009120) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-2-phenylethanamine
PubChem CID23009120
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(furan-2-yl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1ccco1
InChIInChI=1S/C12H13NO/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h1-8,11H,9,13H2
InChIKeyOFRPSIPXXNUCPX-UHFFFAOYSA-N
XLogP2.52
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-phenylethanamine?
The IUPAC name of 1-(furan-2-yl)-2-phenylethanamine (CID 23009120) is 1-(furan-2-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(furan-2-yl)-2-phenylethanamine?
The canonical SMILES for 1-(furan-2-yl)-2-phenylethanamine is NC(Cc1ccccc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-phenylethanamine?
The InChIKey is OFRPSIPXXNUCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h1-8,11H,9,13H2.
What are the key properties of 1-(furan-2-yl)-2-phenylethanamine?
1-(furan-2-yl)-2-phenylethanamine has a molecular weight of 187.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-phenylethanamine is sourced from PubChem (CID 23009120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).