2-(1,2,3-trimethylindol-6-yl)ethanamine

C13H18N2 — CID 82397040

IUPAC2-(1,2,3-trimethylindol-6-yl)ethanamine
SMILESCc1c(C)n(C)c2cc(CCN)ccc12
InChIInChI=1S/C13H18N2/c1-9-10(2)15(3)13-8-11(6-7-14)4-5-12(9)13/h4-5,8H,6-7,14H2,1-3H3
InChIKeyJZCRNSQSXYUZNE-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.30
Rot. Bonds2

About 2-(1,2,3-trimethylindol-6-yl)ethanamine

2-(1,2,3-trimethylindol-6-yl)ethanamine (PubChem CID 82397040) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(1,2,3-trimethylindol-6-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2,3-trimethylindol-6-yl)ethanamine
PubChem CID82397040
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-(1,2,3-trimethylindol-6-yl)ethanamine
SMILESCc1c(C)n(C)c2cc(CCN)ccc12
InChIInChI=1S/C13H18N2/c1-9-10(2)15(3)13-8-11(6-7-14)4-5-12(9)13/h4-5,8H,6-7,14H2,1-3H3
InChIKeyJZCRNSQSXYUZNE-UHFFFAOYSA-N
XLogP2.30
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-(1,2,3-trimethylindol-6-yl)propan-2-amine
CID 117308494
6-(isocyanomethyl)-1,2,3-trimethylindole
CID 83485141
6-(2-aminoethyl)-1,2-dimethylindazol-3-one
CID 105457715
2-methyl-3-(1,2,3-trimethylindol-6-yl)propanoic acid
CID 117365476
2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine
CID 83488858
2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine
CID 82039944
3-(1,2,6-trimethylindol-3-yl)propan-1-amine
CID 82493187
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
[1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine
CID 117431684
1-(1,2,3-trimethylindol-5-yl)propan-2-amine
CID 115006318
1-(1,2,3-trimethylindol-6-yl)ethanol
CID 117291889
2-[1-methyl-3-(2-methylpropyl)indazol-6-yl]ethanamine
CID 105490219

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3-trimethylindol-6-yl)ethanamine?
The IUPAC name of 2-(1,2,3-trimethylindol-6-yl)ethanamine (CID 82397040) is 2-(1,2,3-trimethylindol-6-yl)ethanamine.
What is the SMILES notation for 2-(1,2,3-trimethylindol-6-yl)ethanamine?
The canonical SMILES for 2-(1,2,3-trimethylindol-6-yl)ethanamine is Cc1c(C)n(C)c2cc(CCN)ccc12.
What is the InChIKey of 2-(1,2,3-trimethylindol-6-yl)ethanamine?
The InChIKey is JZCRNSQSXYUZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-10(2)15(3)13-8-11(6-7-14)4-5-12(9)13/h4-5,8H,6-7,14H2,1-3H3.
What are the key properties of 2-(1,2,3-trimethylindol-6-yl)ethanamine?
2-(1,2,3-trimethylindol-6-yl)ethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3-trimethylindol-6-yl)ethanamine is sourced from PubChem (CID 82397040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).