2-bromo-3,7-dimethyl-1-propan-2-ylindole

C13H16BrN — CID 117127858

IUPAC2-bromo-3,7-dimethyl-1-propan-2-ylindole
SMILESCc1c(Br)n(C(C)C)c2c(C)cccc12
InChIInChI=1S/C13H16BrN/c1-8(2)15-12-9(3)6-5-7-11(12)10(4)13(15)14/h5-8H,1-4H3
InChIKeyNUZDUSZRJDIQCD-UHFFFAOYSA-N
MW266.18 g/mol
LogP4.60
Rot. Bonds1

About 2-bromo-3,7-dimethyl-1-propan-2-ylindole

2-bromo-3,7-dimethyl-1-propan-2-ylindole (PubChem CID 117127858) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 2-bromo-3,7-dimethyl-1-propan-2-ylindole.

Molecular Properties

Compound Name2-bromo-3,7-dimethyl-1-propan-2-ylindole
PubChem CID117127858
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name2-bromo-3,7-dimethyl-1-propan-2-ylindole
SMILESCc1c(Br)n(C(C)C)c2c(C)cccc12
InChIInChI=1S/C13H16BrN/c1-8(2)15-12-9(3)6-5-7-11(12)10(4)13(15)14/h5-8H,1-4H3
InChIKeyNUZDUSZRJDIQCD-UHFFFAOYSA-N
XLogP4.60
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-6-propan-2-ylindolo[3,2-b]quinoxaline
CID 936999
2-bromo-1,3-dimethylindol-7-ol
CID 117127883
2-chloro-1,3,7-trimethylindole
CID 117127854
2-(chloromethyl)-7-methyl-1-propan-2-ylbenzimidazole
CID 115552648
7-bromo-2-methyl-1-propan-2-ylindole
CID 68911786
2,7-dibromo-1-ethyl-3-methylindole
CID 117127877
7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole
CID 117186293
1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine
CID 84642831
3-(methoxymethyl)-7-methyl-1-propan-2-ylindole
CID 117186336
O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine
CID 117194362
1,5-dimethylnaphthalene
CID 162159355
2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole
CID 117186618

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,7-dimethyl-1-propan-2-ylindole?
The IUPAC name of 2-bromo-3,7-dimethyl-1-propan-2-ylindole (CID 117127858) is 2-bromo-3,7-dimethyl-1-propan-2-ylindole.
What is the SMILES notation for 2-bromo-3,7-dimethyl-1-propan-2-ylindole?
The canonical SMILES for 2-bromo-3,7-dimethyl-1-propan-2-ylindole is Cc1c(Br)n(C(C)C)c2c(C)cccc12.
What is the InChIKey of 2-bromo-3,7-dimethyl-1-propan-2-ylindole?
The InChIKey is NUZDUSZRJDIQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c1-8(2)15-12-9(3)6-5-7-11(12)10(4)13(15)14/h5-8H,1-4H3.
What are the key properties of 2-bromo-3,7-dimethyl-1-propan-2-ylindole?
2-bromo-3,7-dimethyl-1-propan-2-ylindole has a molecular weight of 266.18 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,7-dimethyl-1-propan-2-ylindole is sourced from PubChem (CID 117127858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).