2-(1,3-dimethylindol-6-yl)-N-methylethanamine

C13H18N2 — CID 117205026

IUPAC2-(1,3-dimethylindol-6-yl)-N-methylethanamine
SMILESCNCCc1ccc2c(C)cn(C)c2c1
InChIInChI=1S/C13H18N2/c1-10-9-15(3)13-8-11(6-7-14-2)4-5-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyVGZITFCPSKAYMW-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.25
Rot. Bonds3

About 2-(1,3-dimethylindol-6-yl)-N-methylethanamine

2-(1,3-dimethylindol-6-yl)-N-methylethanamine (PubChem CID 117205026) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(1,3-dimethylindol-6-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,3-dimethylindol-6-yl)-N-methylethanamine
PubChem CID117205026
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-(1,3-dimethylindol-6-yl)-N-methylethanamine
SMILESCNCCc1ccc2c(C)cn(C)c2c1
InChIInChI=1S/C13H18N2/c1-10-9-15(3)13-8-11(6-7-14-2)4-5-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyVGZITFCPSKAYMW-UHFFFAOYSA-N
XLogP2.25
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-dimethylindol-6-yl)-N-methylpropan-2-amine
CID 117205030
2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine
CID 83902666
N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine
CID 117289513
1,3-dimethylindol-6-ol
CID 83815731
1-(1,3-dimethylindol-6-yl)-N-methylethanamine
CID 117205005
1-(3-bromo-1-methylindol-6-yl)-N-methylmethanamine
CID 83900734
2-(1,3-dimethylindol-4-yl)-N-methylethanamine
CID 117204456
N-methyl-2-(1,4,6-trimethylindol-3-yl)ethanamine
CID 82493166
1-(1,3-dimethylindol-5-yl)-2-methylpropan-2-ol
CID 117204696
2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide
CID 67930893
N-methyl-2-(4-methylquinolin-6-yl)ethanamine
CID 83880761
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
CID 155050815

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylindol-6-yl)-N-methylethanamine?
The IUPAC name of 2-(1,3-dimethylindol-6-yl)-N-methylethanamine (CID 117205026) is 2-(1,3-dimethylindol-6-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1,3-dimethylindol-6-yl)-N-methylethanamine?
The canonical SMILES for 2-(1,3-dimethylindol-6-yl)-N-methylethanamine is CNCCc1ccc2c(C)cn(C)c2c1.
What is the InChIKey of 2-(1,3-dimethylindol-6-yl)-N-methylethanamine?
The InChIKey is VGZITFCPSKAYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-9-15(3)13-8-11(6-7-14-2)4-5-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of 2-(1,3-dimethylindol-6-yl)-N-methylethanamine?
2-(1,3-dimethylindol-6-yl)-N-methylethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylindol-6-yl)-N-methylethanamine is sourced from PubChem (CID 117205026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).