1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene

C17H18ClNO — CID 155718260

IUPAC1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene
SMILESCC(=O)c1ccc(N)cc1.Clc1ccc2c(c1)CCC2
InChIInChI=1S/C9H9Cl.C8H9NO/c10-9-5-4-7-2-1-3-8(7)6-9;1-6(10)7-2-4-8(9)5-3-7/h4-6H,1-3H2;2-5H,9H2,1H3
InChIKeyXVKVUZYODUYSFI-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.30
Rot. Bonds1

About 1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene

1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene (PubChem CID 155718260) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene
PubChem CID155718260
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene
SMILESCC(=O)c1ccc(N)cc1.Clc1ccc2c(c1)CCC2
InChIInChI=1S/C9H9Cl.C8H9NO/c10-9-5-4-7-2-1-3-8(7)6-9;1-6(10)7-2-4-8(9)5-3-7/h4-6H,1-3H2;2-5H,9H2,1H3
InChIKeyXVKVUZYODUYSFI-UHFFFAOYSA-N
XLogP4.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone
CID 155718370
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
1-[5-(4-aminophenyl)-6-(4-chloro-2-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]ethanone
CID 169239235
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone
CID 43330702
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115815809
N-(5-amino-2-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18071479
(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 7763733
1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
CID 67161719
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene?
The IUPAC name of 1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene (CID 155718260) is 1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene?
The canonical SMILES for 1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene is CC(=O)c1ccc(N)cc1.Clc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene?
The InChIKey is XVKVUZYODUYSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl.C8H9NO/c10-9-5-4-7-2-1-3-8(7)6-9;1-6(10)7-2-4-8(9)5-3-7/h4-6H,1-3H2;2-5H,9H2,1H3.
What are the key properties of 1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene?
1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene has a molecular weight of 287.79 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene is sourced from PubChem (CID 155718260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).