2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one

C14H19BrN2O — CID 119785536

IUPAC2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCc2ccc(Br)cc21
InChIInChI=1S/C14H19BrN2O/c1-3-9(2)13(16)14(18)17-7-6-10-4-5-11(15)8-12(10)17/h4-5,8-9,13H,3,6-7,16H2,1-2H3
InChIKeyJGCJXBVTWISNQZ-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.71
Rot. Bonds3

About 2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one

2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one (PubChem CID 119785536) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one
PubChem CID119785536
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCc2ccc(Br)cc21
InChIInChI=1S/C14H19BrN2O/c1-3-9(2)13(16)14(18)17-7-6-10-4-5-11(15)8-12(10)17/h4-5,8-9,13H,3,6-7,16H2,1-2H3
InChIKeyJGCJXBVTWISNQZ-UHFFFAOYSA-N
XLogP2.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335
1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine
CID 18735337
2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one
CID 119280348
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119310117
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148
1-(2-aminobutanoyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382387
6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
(2S,3S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 61258316
(2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine;(E)-but-2-enedioic acid
CID 23640916
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
ethyl 2-methyl-3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 11011775

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one?
The IUPAC name of 2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one (CID 119785536) is 2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one is CCC(C)C(N)C(=O)N1CCc2ccc(Br)cc21.
What is the InChIKey of 2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one?
The InChIKey is JGCJXBVTWISNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-3-9(2)13(16)14(18)17-7-6-10-4-5-11(15)8-12(10)17/h4-5,8-9,13H,3,6-7,16H2,1-2H3.
What are the key properties of 2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one?
2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one has a molecular weight of 311.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one is sourced from PubChem (CID 119785536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).