4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole

C12H16BrN — CID 90764261

IUPAC4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole
SMILESCC(C)c1ccc(Br)c2c1N(C)CC2
InChIInChI=1S/C12H16BrN/c1-8(2)9-4-5-11(13)10-6-7-14(3)12(9)10/h4-5,8H,6-7H2,1-3H3
InChIKeyRUFXBWVIBNBTMK-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.56
Rot. Bonds1

About 4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole

4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole (PubChem CID 90764261) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole
PubChem CID90764261
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole
SMILESCC(C)c1ccc(Br)c2c1N(C)CC2
InChIInChI=1S/C12H16BrN/c1-8(2)9-4-5-11(13)10-6-7-14(3)12(9)10/h4-5,8H,6-7H2,1-3H3
InChIKeyRUFXBWVIBNBTMK-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole?
The IUPAC name of 4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole (CID 90764261) is 4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole.
What is the SMILES notation for 4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole?
The canonical SMILES for 4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole is CC(C)c1ccc(Br)c2c1N(C)CC2.
What is the InChIKey of 4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole?
The InChIKey is RUFXBWVIBNBTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8(2)9-4-5-11(13)10-6-7-14(3)12(9)10/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole?
4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole has a molecular weight of 254.17 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-7-propan-2-yl-2,3-dihydroindole is sourced from PubChem (CID 90764261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).