3-(furan-2-yl)-4-phenylbutan-1-amine

C14H17NO — CID 2771863

IUPAC3-(furan-2-yl)-4-phenylbutan-1-amine
SMILESNCCC(Cc1ccccc1)c1ccco1
InChIInChI=1S/C14H17NO/c15-9-8-13(14-7-4-10-16-14)11-12-5-2-1-3-6-12/h1-7,10,13H,8-9,11,15H2
InChIKeyVXTXUDSXGALJHG-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.95
Rot. Bonds5

About 3-(furan-2-yl)-4-phenylbutan-1-amine

3-(furan-2-yl)-4-phenylbutan-1-amine (PubChem CID 2771863) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-4-phenylbutan-1-amine
PubChem CID2771863
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(furan-2-yl)-4-phenylbutan-1-amine
SMILESNCCC(Cc1ccccc1)c1ccco1
InChIInChI=1S/C14H17NO/c15-9-8-13(14-7-4-10-16-14)11-12-5-2-1-3-6-12/h1-7,10,13H,8-9,11,15H2
InChIKeyVXTXUDSXGALJHG-UHFFFAOYSA-N
XLogP2.95
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-phenylbutan-1-amine?
The IUPAC name of 3-(furan-2-yl)-4-phenylbutan-1-amine (CID 2771863) is 3-(furan-2-yl)-4-phenylbutan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-4-phenylbutan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-4-phenylbutan-1-amine is NCCC(Cc1ccccc1)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-4-phenylbutan-1-amine?
The InChIKey is VXTXUDSXGALJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c15-9-8-13(14-7-4-10-16-14)11-12-5-2-1-3-6-12/h1-7,10,13H,8-9,11,15H2.
What are the key properties of 3-(furan-2-yl)-4-phenylbutan-1-amine?
3-(furan-2-yl)-4-phenylbutan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-phenylbutan-1-amine is sourced from PubChem (CID 2771863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).