2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine

C20H31N3O — CID 112540994

IUPAC2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine
SMILESCCNCCc1c(C)n(C)c2cc3c(cc12)CN(CCOCC)C3
InChIInChI=1S/C20H31N3O/c1-5-21-8-7-18-15(3)22(4)20-12-17-14-23(9-10-24-6-2)13-16(17)11-19(18)20/h11-12,21H,5-10,13-14H2,1-4H3
InChIKeyHNPGYFIFPJMRQL-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.99
Rot. Bonds8

About 2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine

2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine (PubChem CID 112540994) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine
PubChem CID112540994
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine
SMILESCCNCCc1c(C)n(C)c2cc3c(cc12)CN(CCOCC)C3
InChIInChI=1S/C20H31N3O/c1-5-21-8-7-18-15(3)22(4)20-12-17-14-23(9-10-24-6-2)13-16(17)11-19(18)20/h11-12,21H,5-10,13-14H2,1-4H3
InChIKeyHNPGYFIFPJMRQL-UHFFFAOYSA-N
XLogP2.99
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine 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

3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984471
1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine
CID 112540993
2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine
CID 112540938
3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine
CID 112540939
2-amino-2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]ethanol
CID 83984473
2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine
CID 112540888
N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 82495215
methyl 6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
CID 83984021
1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine
CID 112540856
N-[2-(1,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 83984111
1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
CID 83984360
methyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate
CID 83984356

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine?
The IUPAC name of 2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine (CID 112540994) is 2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine?
The canonical SMILES for 2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine is CCNCCc1c(C)n(C)c2cc3c(cc12)CN(CCOCC)C3.
What is the InChIKey of 2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine?
The InChIKey is HNPGYFIFPJMRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-5-21-8-7-18-15(3)22(4)20-12-17-14-23(9-10-24-6-2)13-16(17)11-19(18)20/h11-12,21H,5-10,13-14H2,1-4H3.
What are the key properties of 2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine?
2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine has a molecular weight of 329.49 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine is sourced from PubChem (CID 112540994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).