6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

C15H17BrN2 — CID 84644816

IUPAC6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCc1c(C2=CCNCC2)c2ccc(Br)cc2n1C
InChIInChI=1S/C15H17BrN2/c1-10-15(11-5-7-17-8-6-11)13-4-3-12(16)9-14(13)18(10)2/h3-5,9,17H,6-8H2,1-2H3
InChIKeyPQAMSNZFOYBVEZ-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.63
Rot. Bonds1

About 6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (PubChem CID 84644816) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.

Molecular Properties

Compound Name6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
PubChem CID84644816
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCc1c(C2=CCNCC2)c2ccc(Br)cc2n1C
InChIInChI=1S/C15H17BrN2/c1-10-15(11-5-7-17-8-6-11)13-4-3-12(16)9-14(13)18(10)2/h3-5,9,17H,6-8H2,1-2H3
InChIKeyPQAMSNZFOYBVEZ-UHFFFAOYSA-N
XLogP3.63
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 84638446
5-ethyl-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 84635404
1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 84635413
2,7-dibromo-9-methylcarbazole
CID 11851387
5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 2763724
3-(cyclohexen-1-yl)-1,2-dimethylindole
CID 15619846
5-bromo-1,2-dimethyl-3-piperidin-4-ylindole
CID 82278169
3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine
CID 84645259
2-(6-bromo-1,2-dimethylindol-3-yl)-2-hydroxyacetic acid
CID 115073021
2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine
CID 84645258
7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 83678254
7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine
CID 84643998

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The IUPAC name of 6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (CID 84644816) is 6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.
What is the SMILES notation for 6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The canonical SMILES for 6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is Cc1c(C2=CCNCC2)c2ccc(Br)cc2n1C.
What is the InChIKey of 6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The InChIKey is PQAMSNZFOYBVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-10-15(11-5-7-17-8-6-11)13-4-3-12(16)9-14(13)18(10)2/h3-5,9,17H,6-8H2,1-2H3.
What are the key properties of 6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole has a molecular weight of 305.22 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is sourced from PubChem (CID 84644816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).