7-bromo-3-(2-methylpentan-3-yl)-1H-indole

C14H18BrN — CID 106985203

IUPAC7-bromo-3-(2-methylpentan-3-yl)-1H-indole
SMILESCCC(c1c[nH]c2c(Br)cccc12)C(C)C
InChIInChI=1S/C14H18BrN/c1-4-10(9(2)3)12-8-16-14-11(12)6-5-7-13(14)15/h5-10,16H,4H2,1-3H3
InChIKeyUCYVEZOWEAJKMQ-UHFFFAOYSA-N
MW280.21 g/mol
LogP5.08
Rot. Bonds3

About 7-bromo-3-(2-methylpentan-3-yl)-1H-indole

7-bromo-3-(2-methylpentan-3-yl)-1H-indole (PubChem CID 106985203) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 7-bromo-3-(2-methylpentan-3-yl)-1H-indole.

Molecular Properties

Compound Name7-bromo-3-(2-methylpentan-3-yl)-1H-indole
PubChem CID106985203
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name7-bromo-3-(2-methylpentan-3-yl)-1H-indole
SMILESCCC(c1c[nH]c2c(Br)cccc12)C(C)C
InChIInChI=1S/C14H18BrN/c1-4-10(9(2)3)12-8-16-14-11(12)6-5-7-13(14)15/h5-10,16H,4H2,1-3H3
InChIKeyUCYVEZOWEAJKMQ-UHFFFAOYSA-N
XLogP5.08
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.21
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

7-chloro-3-(2-methylpentan-3-yl)-1H-indole
CID 106985200
7-methyl-3-(2-methylpentan-3-yl)-1H-indole
CID 106985199
7-bromo-3-propan-2-yl-1H-indole
CID 106985591
7-bromo-3-pentan-2-yl-1H-indole
CID 106985623
2-(7-bromo-1H-indol-3-yl)propan-1-amine
CID 76846624
2-amino-1-(7-bromo-1H-indol-3-yl)ethanol
CID 76846683
7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole
CID 175467087
1-(7-chloro-1H-indol-3-yl)propan-1-amine
CID 76846666
7-bromo-3-(ethylsulfanylmethyl)-1H-indole
CID 117182045
2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid
CID 135375085
7-bromo-3-tert-butyl-1H-indole
CID 106985255
7-chloro-3-[1-(7-chloro-1H-indol-3-yl)ethyl]-1H-indole
CID 102233204

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(2-methylpentan-3-yl)-1H-indole?
The IUPAC name of 7-bromo-3-(2-methylpentan-3-yl)-1H-indole (CID 106985203) is 7-bromo-3-(2-methylpentan-3-yl)-1H-indole.
What is the SMILES notation for 7-bromo-3-(2-methylpentan-3-yl)-1H-indole?
The canonical SMILES for 7-bromo-3-(2-methylpentan-3-yl)-1H-indole is CCC(c1c[nH]c2c(Br)cccc12)C(C)C.
What is the InChIKey of 7-bromo-3-(2-methylpentan-3-yl)-1H-indole?
The InChIKey is UCYVEZOWEAJKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c1-4-10(9(2)3)12-8-16-14-11(12)6-5-7-13(14)15/h5-10,16H,4H2,1-3H3.
What are the key properties of 7-bromo-3-(2-methylpentan-3-yl)-1H-indole?
7-bromo-3-(2-methylpentan-3-yl)-1H-indole has a molecular weight of 280.21 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(2-methylpentan-3-yl)-1H-indole is sourced from PubChem (CID 106985203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).