5-(2-phenylethylamino)-2,3-dihydroinden-1-one

C17H17NO — CID 68857612

IUPAC5-(2-phenylethylamino)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(NCCc3ccccc3)ccc21
InChIInChI=1S/C17H17NO/c19-17-9-6-14-12-15(7-8-16(14)17)18-11-10-13-4-2-1-3-5-13/h1-5,7-8,12,18H,6,9-11H2
InChIKeyOGSCLHNHKVBCDW-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.47
Rot. Bonds4

About 5-(2-phenylethylamino)-2,3-dihydroinden-1-one

5-(2-phenylethylamino)-2,3-dihydroinden-1-one (PubChem CID 68857612) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(2-phenylethylamino)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(2-phenylethylamino)-2,3-dihydroinden-1-one
PubChem CID68857612
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name5-(2-phenylethylamino)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(NCCc3ccccc3)ccc21
InChIInChI=1S/C17H17NO/c19-17-9-6-14-12-15(7-8-16(14)17)18-11-10-13-4-2-1-3-5-13/h1-5,7-8,12,18H,6,9-11H2
InChIKeyOGSCLHNHKVBCDW-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-phenylpropoxy)-2,3-dihydroinden-1-one
CID 104986122
3-ethyl-4-methyl-N-(2-phenylethyl)aniline
CID 114250176
5-(cyclopropylamino)-2,3-dihydroinden-1-one
CID 83817707
4-ethyl-3-methyl-N-(2-phenylethyl)aniline
CID 114250118
(2R)-4-benzyl-2-(hydroxymethyl)-N-(1-oxo-2,3-dihydroinden-5-yl)piperazine-1-carboxamide
CID 97284530
ethane;N-(2-phenylethyl)aniline
CID 91194556
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
ethane;N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
CID 143044158
3-(2-phenylethylamino)phenol
CID 28722392
N-benzyl-6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine
CID 22664192
3-(2-phenylethylamino)benzoic acid
CID 43139401
6-(benzylamino)-2-ethyl-3,4-dihydroisoquinolin-1-one
CID 137422672

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethylamino)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(2-phenylethylamino)-2,3-dihydroinden-1-one (CID 68857612) is 5-(2-phenylethylamino)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(2-phenylethylamino)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(2-phenylethylamino)-2,3-dihydroinden-1-one is O=C1CCc2cc(NCCc3ccccc3)ccc21.
What is the InChIKey of 5-(2-phenylethylamino)-2,3-dihydroinden-1-one?
The InChIKey is OGSCLHNHKVBCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17-9-6-14-12-15(7-8-16(14)17)18-11-10-13-4-2-1-3-5-13/h1-5,7-8,12,18H,6,9-11H2.
What are the key properties of 5-(2-phenylethylamino)-2,3-dihydroinden-1-one?
5-(2-phenylethylamino)-2,3-dihydroinden-1-one has a molecular weight of 251.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethylamino)-2,3-dihydroinden-1-one is sourced from PubChem (CID 68857612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).