2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine

C15H22N2 — CID 45095754

IUPAC2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine
SMILESCCc1c(CCN(C)C)c2ccccc2n1C
InChIInChI=1S/C15H22N2/c1-5-14-13(10-11-16(2)3)12-8-6-7-9-15(12)17(14)4/h6-9H,5,10-11H2,1-4H3
InChIKeyFKONBNDRIKAFLG-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.84
Rot. Bonds4

About 2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine

2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine (PubChem CID 45095754) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine
PubChem CID45095754
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine
SMILESCCc1c(CCN(C)C)c2ccccc2n1C
InChIInChI=1S/C15H22N2/c1-5-14-13(10-11-16(2)3)12-8-6-7-9-15(12)17(14)4/h6-9H,5,10-11H2,1-4H3
InChIKeyFKONBNDRIKAFLG-UHFFFAOYSA-N
XLogP2.84
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864109
2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol
CID 12666442
3-(1-ethyl-2-methylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170866943
[1-methyl-2-(2-phenylethyl)indol-3-yl]methanol
CID 174540584
N,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 59939722
2-ethyl-9-methylcarbazole
CID 71038255
1,3-dimethyl-2-tridecylindole
CID 122371242
2-ethyl-4-methylfuro[3,2-b]indole
CID 170056766
10-[2-(dimethylamino)ethyl]acridin-9-one
CID 3014731
ethane;bis(9-methylcarbazole)
CID 159710949
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole
CID 157122077

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine (CID 45095754) is 2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine is CCc1c(CCN(C)C)c2ccccc2n1C.
What is the InChIKey of 2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine?
The InChIKey is FKONBNDRIKAFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-14-13(10-11-16(2)3)12-8-6-7-9-15(12)17(14)4/h6-9H,5,10-11H2,1-4H3.
What are the key properties of 2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine?
2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine has a molecular weight of 230.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 45095754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).