3-Amino-2-phenyl-1H-inden-1-one

C₁₅H₁₁NOCAS 1947-47-3221.26 g/mol

Open in Covalent MOL file

Alkene Ketone Primary amine

Properties

Molecular formula: C₁₅H₁₁NO
Molar mass: 221.26 g/mol
Exact mass: 221.0841 Da
Melting point: 266–268 °C
logP: 2.71Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

1947-47-3

SMILES

NC1=C(c2ccccc2)C(=O)c2ccccc21

InChIKey

HLEKBTIHDXNOQP-UHFFFAOYSA-N

InChI

InChI=1S/C15H11NO/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9H,16H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

1H-Inden-1-one, 3-amino-2-phenyl-
Indone, 3-amino-2-phenyl-
3-Amino-2-phenylindene-1-one
NSC 156175
3-Amino-2-phenylinden-1-one

Work with 3-Amino-2-phenyl-1H-inden-1-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Diphenyl-1H-inden-1-one1801-42-961 % similar Benzil134-81-646 % similar 1,4-Bis(phenylglyoxaloyl)benzene3363-97-145 % similar 1,4-Diamino-2,3-dihydroanthraquinone81-63-043 % similar 1,2-Dibenzoylbenzene1159-86-042 % similar Tetraphenylcyclopentadienone479-33-442 % similar Quinoclamine2797-51-542 % similar Dichlone117-80-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Phenylindole-3-carboxaldehyde25365-71-3 2,5-Diphenyloxazole92-71-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook