3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine

C22H25NO — CID 2954718

IUPAC3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine
SMILESCC(NCCC(Cc1ccccc1)c1ccco1)c1ccccc1
InChIInChI=1S/C22H25NO/c1-18(20-11-6-3-7-12-20)23-15-14-21(22-13-8-16-24-22)17-19-9-4-2-5-10-19/h2-13,16,18,21,23H,14-15,17H2,1H3
InChIKeyXGUHOBOCZIFLSU-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.35
Rot. Bonds8

About 3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine

3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine (PubChem CID 2954718) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine
PubChem CID2954718
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine
SMILESCC(NCCC(Cc1ccccc1)c1ccco1)c1ccccc1
InChIInChI=1S/C22H25NO/c1-18(20-11-6-3-7-12-20)23-15-14-21(22-13-8-16-24-22)17-19-9-4-2-5-10-19/h2-13,16,18,21,23H,14-15,17H2,1H3
InChIKeyXGUHOBOCZIFLSU-UHFFFAOYSA-N
XLogP5.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.35
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-phenyl-N-(1-phenylethyl)butan-1-amine?
The IUPAC name of 3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine (CID 2954718) is 3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine is CC(NCCC(Cc1ccccc1)c1ccco1)c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine?
The InChIKey is XGUHOBOCZIFLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-18(20-11-6-3-7-12-20)23-15-14-21(22-13-8-16-24-22)17-19-9-4-2-5-10-19/h2-13,16,18,21,23H,14-15,17H2,1H3.
What are the key properties of 3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine?
3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine has a molecular weight of 319.45 g/mol, XLogP of 5.35, 8 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-phenyl-N-(1-phenylethyl)butan-1-amine is sourced from PubChem (CID 2954718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).