2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone

C23H22N2O — CID 147623744

IUPAC2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone
SMILESNc1ccccc1CC(=O)c1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C23H22N2O/c24-21-7-3-1-6-20(21)15-23(26)19-11-9-17(10-12-19)16-25-14-13-18-5-2-4-8-22(18)25/h1-12H,13-16,24H2
InChIKeyGEJHXUDNKYMOCP-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.26
Rot. Bonds5

About 2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone

2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone (PubChem CID 147623744) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone
PubChem CID147623744
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone
SMILESNc1ccccc1CC(=O)c1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C23H22N2O/c24-21-7-3-1-6-20(21)15-23(26)19-11-9-17(10-12-19)16-25-14-13-18-5-2-4-8-22(18)25/h1-12H,13-16,24H2
InChIKeyGEJHXUDNKYMOCP-UHFFFAOYSA-N
XLogP4.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 38000598
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
CID 16793024
2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol
CID 43375648
(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone
CID 99955888
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46762925
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
1-[(4-bromophenyl)methyl]-2,3-dihydroindole
CID 22199835
1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
CID 58460267
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 126638230

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone?
The IUPAC name of 2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone (CID 147623744) is 2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone?
The canonical SMILES for 2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone is Nc1ccccc1CC(=O)c1ccc(CN2CCc3ccccc32)cc1.
What is the InChIKey of 2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone?
The InChIKey is GEJHXUDNKYMOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c24-21-7-3-1-6-20(21)15-23(26)19-11-9-17(10-12-19)16-25-14-13-18-5-2-4-8-22(18)25/h1-12H,13-16,24H2.
What are the key properties of 2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone?
2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone is sourced from PubChem (CID 147623744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).