2-(1,3-dimethylindol-4-yl)-N-methylethanamine

C13H18N2 — CID 117204456

IUPAC2-(1,3-dimethylindol-4-yl)-N-methylethanamine
SMILESCNCCc1cccc2c1c(C)cn2C
InChIInChI=1S/C13H18N2/c1-10-9-15(3)12-6-4-5-11(13(10)12)7-8-14-2/h4-6,9,14H,7-8H2,1-3H3
InChIKeyNWPWFTXIBCOKJF-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.25
Rot. Bonds3

About 2-(1,3-dimethylindol-4-yl)-N-methylethanamine

2-(1,3-dimethylindol-4-yl)-N-methylethanamine (PubChem CID 117204456) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(1,3-dimethylindol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,3-dimethylindol-4-yl)-N-methylethanamine
PubChem CID117204456
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-(1,3-dimethylindol-4-yl)-N-methylethanamine
SMILESCNCCc1cccc2c1c(C)cn2C
InChIInChI=1S/C13H18N2/c1-10-9-15(3)12-6-4-5-11(13(10)12)7-8-14-2/h4-6,9,14H,7-8H2,1-3H3
InChIKeyNWPWFTXIBCOKJF-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-4-yl)-N-methylmethanamine
CID 117204432
1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol
CID 117204407
N-methyl-2-(1,4,6-trimethylindol-3-yl)ethanamine
CID 82493166
N-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine
CID 123821411
2-(1,3-dimethylindol-6-yl)-N-methylethanamine
CID 117205026
2-(1,4-dimethylindol-3-yl)acetaldehyde
CID 117194756
2-(1,3-dimethylindol-4-yl)propan-2-ol
CID 15852030
N-methyl-2-(2-methylphenyl)ethanamine;toluene
CID 142152670
O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine
CID 117322623
2-(4-chloroisoquinolin-5-yl)-N-methylethanamine
CID 163469903
1,4-dimethylindol-3-amine
CID 89174209
2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine
CID 50997397

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylindol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(1,3-dimethylindol-4-yl)-N-methylethanamine (CID 117204456) is 2-(1,3-dimethylindol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1,3-dimethylindol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(1,3-dimethylindol-4-yl)-N-methylethanamine is CNCCc1cccc2c1c(C)cn2C.
What is the InChIKey of 2-(1,3-dimethylindol-4-yl)-N-methylethanamine?
The InChIKey is NWPWFTXIBCOKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-9-15(3)12-6-4-5-11(13(10)12)7-8-14-2/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 2-(1,3-dimethylindol-4-yl)-N-methylethanamine?
2-(1,3-dimethylindol-4-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-4-yl)-N-methylethanamine is sourced from PubChem (CID 117204456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).