5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C17H19NO — CID 83049310

IUPAC5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2ccc(-c3ccccc3)cc2C1N
InChIInChI=1S/C17H19NO/c1-2-6-16-17(18)14-11-13(9-10-15(14)19-16)12-7-4-3-5-8-12/h3-5,7-11,16-17H,2,6,18H2,1H3
InChIKeyQQLAQCZTYHHNHR-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.91
Rot. Bonds3

About 5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83049310) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83049310
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2ccc(-c3ccccc3)cc2C1N
InChIInChI=1S/C17H19NO/c1-2-6-16-17(18)14-11-13(9-10-15(14)19-16)12-7-4-3-5-8-12/h3-5,7-11,16-17H,2,6,18H2,1H3
InChIKeyQQLAQCZTYHHNHR-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83049310) is 5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2ccc(-c3ccccc3)cc2C1N.
What is the InChIKey of 5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is QQLAQCZTYHHNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-6-16-17(18)14-11-13(9-10-15(14)19-16)12-7-4-3-5-8-12/h3-5,7-11,16-17H,2,6,18H2,1H3.
What are the key properties of 5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 253.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83049310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).