5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole

C12H16BrN — CID 106701891

IUPAC5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole
SMILESCC(C)C1(C)CNc2ccc(Br)cc21
InChIInChI=1S/C12H16BrN/c1-8(2)12(3)7-14-11-5-4-9(13)6-10(11)12/h4-6,8,14H,7H2,1-3H3
InChIKeyROXAPVJQJJABLK-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.79
Rot. Bonds1

About 5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole

5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole (PubChem CID 106701891) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole.

Molecular Properties

Compound Name5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole
PubChem CID106701891
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole
SMILESCC(C)C1(C)CNc2ccc(Br)cc21
InChIInChI=1S/C12H16BrN/c1-8(2)12(3)7-14-11-5-4-9(13)6-10(11)12/h4-6,8,14H,7H2,1-3H3
InChIKeyROXAPVJQJJABLK-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole
CID 106701880
5-bromo-3,3-difluoro-1,2-dihydroindole
CID 135392171
7-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115429330
2,7-dibromo-9,9-dimethyl-10H-acridine
CID 67414167
7-bromo-5-fluoro-5-methyl-1,2,3,4-tetrahydro-1-benzazepine
CID 84729417
(5-bromo-3-methyl-1,2-dihydroindol-3-yl)methyl acetate
CID 90124476
5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene
CID 169145643
6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline
CID 18620064
8-bromo-3,3-dimethyl-4,5-dihydro-2H-1,5-benzoxazepine
CID 82232741
3,5,7-trimethyl-3-propan-2-yl-1,2-dihydroindole
CID 106701894
6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 10537940
8-bromo-4,4-dimethyl-3,5-dihydro-2H-1λ6,2-benzothiazepine 1,1-dioxide
CID 135135600

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole?
The IUPAC name of 5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole (CID 106701891) is 5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole.
What is the SMILES notation for 5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole?
The canonical SMILES for 5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole is CC(C)C1(C)CNc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole?
The InChIKey is ROXAPVJQJJABLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8(2)12(3)7-14-11-5-4-9(13)6-10(11)12/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole?
5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole has a molecular weight of 254.17 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-3-propan-2-yl-1,2-dihydroindole is sourced from PubChem (CID 106701891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).