2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one

C19H21BrN2O — CID 4818858

IUPAC2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O/c1-14(21(2)13-15-7-9-17(20)10-8-15)19(23)22-12-11-16-5-3-4-6-18(16)22/h3-10,14H,11-13H2,1-2H3
InChIKeyYASJDMVCTQKMCV-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.86
Rot. Bonds4

About 2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one

2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 4818858) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID4818858
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O/c1-14(21(2)13-15-7-9-17(20)10-8-15)19(23)22-12-11-16-5-3-4-6-18(16)22/h3-10,14H,11-13H2,1-2H3
InChIKeyYASJDMVCTQKMCV-UHFFFAOYSA-N
XLogP3.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one
CID 4881919
4-[[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 51227478
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 8774784
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3-fluorophenyl)methyl-methylamino]propan-1-one
CID 8516194
(2S)-1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-one
CID 39948944
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one
CID 8515151
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 78808593
2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 9049766
N-cyclopropyl-2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 9053395
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one
CID 78903084
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 4818858) is 2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(C(=O)N1CCc2ccccc21)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is YASJDMVCTQKMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c1-14(21(2)13-15-7-9-17(20)10-8-15)19(23)22-12-11-16-5-3-4-6-18(16)22/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 373.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 4818858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).