4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine

C20H31N3O — CID 83984062

IUPAC4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine
SMILESCC(N)CCc1cn(C)c2cc3c(cc12)CN(CCOC(C)C)C3
InChIInChI=1S/C20H31N3O/c1-14(2)24-8-7-23-12-17-9-19-16(6-5-15(3)21)11-22(4)20(19)10-18(17)13-23/h9-11,14-15H,5-8,12-13,21H2,1-4H3
InChIKeyLHCRATLZYNLKSO-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.20
Rot. Bonds7

About 4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine

4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine (PubChem CID 83984062) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine.

Molecular Properties

Compound Name4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine
PubChem CID83984062
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine
SMILESCC(N)CCc1cn(C)c2cc3c(cc12)CN(CCOC(C)C)C3
InChIInChI=1S/C20H31N3O/c1-14(2)24-8-7-23-12-17-9-19-16(6-5-15(3)21)11-22(4)20(19)10-18(17)13-23/h9-11,14-15H,5-8,12-13,21H2,1-4H3
InChIKeyLHCRATLZYNLKSO-UHFFFAOYSA-N
XLogP3.20
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine?
The IUPAC name of 4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine (CID 83984062) is 4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine.
What is the SMILES notation for 4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine?
The canonical SMILES for 4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine is CC(N)CCc1cn(C)c2cc3c(cc12)CN(CCOC(C)C)C3.
What is the InChIKey of 4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine?
The InChIKey is LHCRATLZYNLKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-14(2)24-8-7-23-12-17-9-19-16(6-5-15(3)21)11-22(4)20(19)10-18(17)13-23/h9-11,14-15H,5-8,12-13,21H2,1-4H3.
What are the key properties of 4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine?
4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine has a molecular weight of 329.49 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine is sourced from PubChem (CID 83984062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).