3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one

C19H21BrN2O2 — CID 70255890

IUPAC3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1cc(C)c(C(N)CC(=O)N2CCc3ccccc32)c(Br)c1
InChIInChI=1S/C19H21BrN2O2/c1-12-9-14(24-2)10-15(20)19(12)16(21)11-18(23)22-8-7-13-5-3-4-6-17(13)22/h3-6,9-10,16H,7-8,11,21H2,1-2H3
InChIKeyRYWAWINIOPLNLG-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.75
Rot. Bonds4

About 3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one

3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 70255890) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID70255890
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1cc(C)c(C(N)CC(=O)N2CCc3ccccc32)c(Br)c1
InChIInChI=1S/C19H21BrN2O2/c1-12-9-14(24-2)10-15(20)19(12)16(21)11-18(23)22-8-7-13-5-3-4-6-17(13)22/h3-6,9-10,16H,7-8,11,21H2,1-2H3
InChIKeyRYWAWINIOPLNLG-UHFFFAOYSA-N
XLogP3.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3-bromophenyl] methyl carbonate
CID 70253678
[4-[1-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] prop-2-enyl carbonate
CID 70255772
[4-[1-amino-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-bromo-5-methylphenyl] ethyl carbonate
CID 57120640
[4-[1-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-bromo-5-methylphenyl] ethyl carbonate
CID 57157732
3-amino-3-(2-chloro-4-methoxy-6-methylphenyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 57044115
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110370799
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
[4-[(2R)-2-amino-3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3,5-dimethylphenyl] methyl carbonate
CID 54026327
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 16523585
1-(2,3-dihydroindol-1-yl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1,3-dione
CID 108951395
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 70255890) is 3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one is COc1cc(C)c(C(N)CC(=O)N2CCc3ccccc32)c(Br)c1.
What is the InChIKey of 3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is RYWAWINIOPLNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-12-9-14(24-2)10-15(20)19(12)16(21)11-18(23)22-8-7-13-5-3-4-6-17(13)22/h3-6,9-10,16H,7-8,11,21H2,1-2H3.
What are the key properties of 3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 389.29 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-bromo-4-methoxy-6-methylphenyl)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 70255890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).