2-(2-aminoethyl)-2-phenyl-3H-inden-1-one

C17H17NO — CID 70864321

IUPAC2-(2-aminoethyl)-2-phenyl-3H-inden-1-one
SMILESNCCC1(c2ccccc2)Cc2ccccc2C1=O
InChIInChI=1S/C17H17NO/c18-11-10-17(14-7-2-1-3-8-14)12-13-6-4-5-9-15(13)16(17)19/h1-9H,10-12,18H2
InChIKeyUAUGLWTUGIBKBR-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.71
Rot. Bonds3

About 2-(2-aminoethyl)-2-phenyl-3H-inden-1-one

2-(2-aminoethyl)-2-phenyl-3H-inden-1-one (PubChem CID 70864321) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-aminoethyl)-2-phenyl-3H-inden-1-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-2-phenyl-3H-inden-1-one
PubChem CID70864321
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(2-aminoethyl)-2-phenyl-3H-inden-1-one
SMILESNCCC1(c2ccccc2)Cc2ccccc2C1=O
InChIInChI=1S/C17H17NO/c18-11-10-17(14-7-2-1-3-8-14)12-13-6-4-5-9-15(13)16(17)19/h1-9H,10-12,18H2
InChIKeyUAUGLWTUGIBKBR-UHFFFAOYSA-N
XLogP2.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-2-phenyl-3H-inden-1-one?
The IUPAC name of 2-(2-aminoethyl)-2-phenyl-3H-inden-1-one (CID 70864321) is 2-(2-aminoethyl)-2-phenyl-3H-inden-1-one.
What is the SMILES notation for 2-(2-aminoethyl)-2-phenyl-3H-inden-1-one?
The canonical SMILES for 2-(2-aminoethyl)-2-phenyl-3H-inden-1-one is NCCC1(c2ccccc2)Cc2ccccc2C1=O.
What is the InChIKey of 2-(2-aminoethyl)-2-phenyl-3H-inden-1-one?
The InChIKey is UAUGLWTUGIBKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c18-11-10-17(14-7-2-1-3-8-14)12-13-6-4-5-9-15(13)16(17)19/h1-9H,10-12,18H2.
What are the key properties of 2-(2-aminoethyl)-2-phenyl-3H-inden-1-one?
2-(2-aminoethyl)-2-phenyl-3H-inden-1-one has a molecular weight of 251.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-2-phenyl-3H-inden-1-one is sourced from PubChem (CID 70864321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).