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

C13H18N2 — CID 83859797

IUPAC1-(1,3-dimethylindol-2-yl)-N-methylethanamine
SMILESCNC(C)c1c(C)c2ccccc2n1C
InChIInChI=1S/C13H18N2/c1-9-11-7-5-6-8-12(11)15(4)13(9)10(2)14-3/h5-8,10,14H,1-4H3
InChIKeyGFJIEPIEGUUMNK-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.77
Rot. Bonds2

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

1-(1,3-dimethylindol-2-yl)-N-methylethanamine (PubChem CID 83859797) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(1,3-dimethylindol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylindol-2-yl)-N-methylethanamine
PubChem CID83859797
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(1,3-dimethylindol-2-yl)-N-methylethanamine
SMILESCNC(C)c1c(C)c2ccccc2n1C
InChIInChI=1S/C13H18N2/c1-9-11-7-5-6-8-12(11)15(4)13(9)10(2)14-3/h5-8,10,14H,1-4H3
InChIKeyGFJIEPIEGUUMNK-UHFFFAOYSA-N
XLogP2.77
TPSA16.96 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 83868332
1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 84632447
4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine
CID 107236533
2-(1,3-dimethylindol-2-yl)-2-phenylethanamine
CID 84639525
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
ethane;1,2,3-trimethylindole
CID 91590745
N-methyl-1-(1,3,4,7-tetramethylindol-2-yl)ethanamine
CID 83859802
diethyl 2-[2-(1,3-dimethylindol-2-yl)propyl]propanedioate
CID 100981876
1,3-dimethyl-N-propan-2-ylindole-2-carboxamide
CID 113204328
N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
CID 107235433
ethane;bis(9-methylcarbazole)
CID 159710949

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylindol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(1,3-dimethylindol-2-yl)-N-methylethanamine (CID 83859797) is 1-(1,3-dimethylindol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1,3-dimethylindol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(1,3-dimethylindol-2-yl)-N-methylethanamine is CNC(C)c1c(C)c2ccccc2n1C.
What is the InChIKey of 1-(1,3-dimethylindol-2-yl)-N-methylethanamine?
The InChIKey is GFJIEPIEGUUMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-11-7-5-6-8-12(11)15(4)13(9)10(2)14-3/h5-8,10,14H,1-4H3.
What are the key properties of 1-(1,3-dimethylindol-2-yl)-N-methylethanamine?
1-(1,3-dimethylindol-2-yl)-N-methylethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylindol-2-yl)-N-methylethanamine is sourced from PubChem (CID 83859797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).