1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine

C12H15BrN2 — CID 117197621

IUPAC1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine
SMILESCNC(C)c1cn(C)c2c(Br)cccc12
InChIInChI=1S/C12H15BrN2/c1-8(14-2)10-7-15(3)12-9(10)5-4-6-11(12)13/h4-8,14H,1-3H3
InChIKeyKTWKGHHHLTWKRM-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.22
Rot. Bonds2

About 1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine

1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine (PubChem CID 117197621) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine
PubChem CID117197621
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine
SMILESCNC(C)c1cn(C)c2c(Br)cccc12
InChIInChI=1S/C12H15BrN2/c1-8(14-2)10-7-15(3)12-9(10)5-4-6-11(12)13/h4-8,14H,1-3H3
InChIKeyKTWKGHHHLTWKRM-UHFFFAOYSA-N
XLogP3.22
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-methoxy-1-methylindol-3-yl)-N-methylethanamine
CID 83860032
1-(6-chloro-1,7-dimethylindol-3-yl)-N-methylethanamine
CID 83868417
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
CID 117197935
1-(7-bromo-1-methylindol-3-yl)propan-2-ol
CID 83675918
ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate
CID 115073311
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
3-acetyl-8-bromo-1-methylquinolin-4-one
CID 86732744
1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine
CID 117182310
7-bromo-3-(isocyanomethyl)-1-methylindole
CID 83488342
N-methyl-1-(1-methylindol-4-yl)ethanamine
CID 115106916
1-(7-bromo-1-methylindol-3-yl)cyclopropan-1-amine
CID 82667138
1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine
CID 84642831

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine (CID 117197621) is 1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine is CNC(C)c1cn(C)c2c(Br)cccc12.
What is the InChIKey of 1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine?
The InChIKey is KTWKGHHHLTWKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-8(14-2)10-7-15(3)12-9(10)5-4-6-11(12)13/h4-8,14H,1-3H3.
What are the key properties of 1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine?
1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine has a molecular weight of 267.17 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine is sourced from PubChem (CID 117197621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).