2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one

C14H19BrN2O — CID 119706877

IUPAC2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCc2cc(Br)ccc21
InChIInChI=1S/C14H19BrN2O/c1-3-7-14(2,16)13(18)17-8-6-10-9-11(15)4-5-12(10)17/h4-5,9H,3,6-8,16H2,1-2H3
InChIKeyVKDZNPAGTXCYBR-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.86
Rot. Bonds3

About 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one

2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one (PubChem CID 119706877) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one
PubChem CID119706877
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCc2cc(Br)ccc21
InChIInChI=1S/C14H19BrN2O/c1-3-7-14(2,16)13(18)17-8-6-10-9-11(15)4-5-12(10)17/h4-5,9H,3,6-8,16H2,1-2H3
InChIKeyVKDZNPAGTXCYBR-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785912
2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one
CID 119280348
(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335
1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one
CID 142480057
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one
CID 63778411
4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride
CID 119280353
7-amino-1-(5-bromo-2,3-dihydroindol-1-yl)heptan-1-one;hydrochloride
CID 119706831
(5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 47444598
(5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120620289
5-bromo-2,3-dihydro-1H-indole;tert-butyl 5-bromo-2,3-dihydroindole-1-carboxylate
CID 158223864
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
1-[5-(2-bromo-2-methylpropyl)-2,3-dihydroindol-1-yl]pentan-1-one
CID 82259566

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one (CID 119706877) is 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one is CCCC(C)(N)C(=O)N1CCc2cc(Br)ccc21.
What is the InChIKey of 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one?
The InChIKey is VKDZNPAGTXCYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-3-7-14(2,16)13(18)17-8-6-10-9-11(15)4-5-12(10)17/h4-5,9H,3,6-8,16H2,1-2H3.
What are the key properties of 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one?
2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one has a molecular weight of 311.22 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one is sourced from PubChem (CID 119706877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).