2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine

C12H15BrN2 — CID 12650285

IUPAC2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2c(Br)cccc12
InChIInChI=1S/C12H15BrN2/c1-15(2)7-6-9-8-14-12-10(9)4-3-5-11(12)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyAIGRKPCJNQCZCI-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.03
Rot. Bonds3

About 2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine

2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 12650285) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID12650285
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2c(Br)cccc12
InChIInChI=1S/C12H15BrN2/c1-15(2)7-6-9-8-14-12-10(9)4-3-5-11(12)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyAIGRKPCJNQCZCI-UHFFFAOYSA-N
XLogP3.03
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Skatole
CID 6736
N,N-Dimethyltryptamine
CID 6089
Tryptamine
CID 1150
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Alpha-Ethyltryptamine
CID 8367
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107
1-Methyl-1H-indole-3-ethylamine
CID 23492
5-Methyltryptamine
CID 15760
5-Bromoindole
CID 24905

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine (CID 12650285) is 2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine is CN(C)CCc1c[nH]c2c(Br)cccc12.
What is the InChIKey of 2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is AIGRKPCJNQCZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-15(2)7-6-9-8-14-12-10(9)4-3-5-11(12)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine?
2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 267.17 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 12650285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).