2-(4-methoxyphenyl)-3-(propylamino)inden-1-one

C19H19NO2 — CID 2198069

IUPAC2-(4-methoxyphenyl)-3-(propylamino)inden-1-one
SMILESCCCNC1=C(c2ccc(OC)cc2)C(=O)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-3-12-20-18-15-6-4-5-7-16(15)19(21)17(18)13-8-10-14(22-2)11-9-13/h4-11,20H,3,12H2,1-2H3
InChIKeySEPHPGOUYWJKLS-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.76
Rot. Bonds5

About 2-(4-methoxyphenyl)-3-(propylamino)inden-1-one

2-(4-methoxyphenyl)-3-(propylamino)inden-1-one (PubChem CID 2198069) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(propylamino)inden-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(propylamino)inden-1-one
PubChem CID2198069
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-(4-methoxyphenyl)-3-(propylamino)inden-1-one
SMILESCCCNC1=C(c2ccc(OC)cc2)C(=O)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-3-12-20-18-15-6-4-5-7-16(15)19(21)17(18)13-8-10-14(22-2)11-9-13/h4-11,20H,3,12H2,1-2H3
InChIKeySEPHPGOUYWJKLS-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(propylamino)inden-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(propylamino)inden-1-one (CID 2198069) is 2-(4-methoxyphenyl)-3-(propylamino)inden-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(propylamino)inden-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(propylamino)inden-1-one is CCCNC1=C(c2ccc(OC)cc2)C(=O)c2ccccc21.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(propylamino)inden-1-one?
The InChIKey is SEPHPGOUYWJKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-12-20-18-15-6-4-5-7-16(15)19(21)17(18)13-8-10-14(22-2)11-9-13/h4-11,20H,3,12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(propylamino)inden-1-one?
2-(4-methoxyphenyl)-3-(propylamino)inden-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(propylamino)inden-1-one is sourced from PubChem (CID 2198069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).