7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole

C12H16BrN — CID 106986374

IUPAC7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole
SMILESCC(C)CC1CNc2c(Br)cccc21
InChIInChI=1S/C12H16BrN/c1-8(2)6-9-7-14-12-10(9)4-3-5-11(12)13/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeyIMQGSYPIJBOASS-UHFFFAOYSA-N
MW254.17 g/mol
LogP4.00
Rot. Bonds2

About 7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole

7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole (PubChem CID 106986374) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole
PubChem CID106986374
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole
SMILESCC(C)CC1CNc2c(Br)cccc21
InChIInChI=1S/C12H16BrN/c1-8(2)6-9-7-14-12-10(9)4-3-5-11(12)13/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeyIMQGSYPIJBOASS-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986370
methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate
CID 115050329
1-(7-methyl-2,3-dihydro-1H-indol-3-yl)propan-2-amine
CID 82277210
7-bromo-3-(difluoromethyl)-2,3-dihydro-1H-indole
CID 84706366
8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
CID 105460976
(1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
CID 124676964
5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106820143
7-chloro-3-propyl-2,3-dihydro-1H-indole
CID 106985714
5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline
CID 130577854
(7-methyl-2,3-dihydro-1H-indol-3-yl)methanol
CID 82277392
8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115095571
N,N-dimethyl-2-(7-methyl-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 169244277

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole?
The IUPAC name of 7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole (CID 106986374) is 7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole is CC(C)CC1CNc2c(Br)cccc21.
What is the InChIKey of 7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole?
The InChIKey is IMQGSYPIJBOASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8(2)6-9-7-14-12-10(9)4-3-5-11(12)13/h3-5,8-9,14H,6-7H2,1-2H3.
What are the key properties of 7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole?
7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole has a molecular weight of 254.17 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).