1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine

C11H13ClN2 — CID 22139039

IUPAC1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine
SMILESCNCc1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C11H13ClN2/c1-13-6-8-7-14(2)11-5-9(12)3-4-10(8)11/h3-5,7,13H,6H2,1-2H3
InChIKeyIQOWHZWNUBVGOO-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.55
Rot. Bonds2

About 1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine

1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine (PubChem CID 22139039) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine
PubChem CID22139039
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine
SMILESCNCc1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C11H13ClN2/c1-13-6-8-7-14(2)11-5-9(12)3-4-10(8)11/h3-5,7,13H,6H2,1-2H3
InChIKeyIQOWHZWNUBVGOO-UHFFFAOYSA-N
XLogP2.55
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine (CID 22139039) is 1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine is CNCc1cn(C)c2cc(Cl)ccc12.
What is the InChIKey of 1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine?
The InChIKey is IQOWHZWNUBVGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-13-6-8-7-14(2)11-5-9(12)3-4-10(8)11/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine?
1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine has a molecular weight of 208.69 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 22139039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).