5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine

C25H36N2O — CID 144724488

IUPAC5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine
SMILESCC1CCCN1.CO.Cc1cc2cc(-c3cccc(C(C)(C)C)c3)ccc2[nH]1
InChIInChI=1S/C19H21N.C5H11N.CH4O/c1-13-10-16-11-15(8-9-18(16)20-13)14-6-5-7-17(12-14)19(2,3)4;1-5-3-2-4-6-5;1-2/h5-12,20H,1-4H3;5-6H,2-4H2,1H3;2H,1H3
InChIKeyAOTQMYQHDDZWGJ-UHFFFAOYSA-N
MW380.58 g/mol
LogP5.81
Rot. Bonds1

About 5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine

5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine (PubChem CID 144724488) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is 5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine.

Molecular Properties

Compound Name5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine
PubChem CID144724488
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine
SMILESCC1CCCN1.CO.Cc1cc2cc(-c3cccc(C(C)(C)C)c3)ccc2[nH]1
InChIInChI=1S/C19H21N.C5H11N.CH4O/c1-13-10-16-11-15(8-9-18(16)20-13)14-6-5-7-17(12-14)19(2,3)4;1-5-3-2-4-6-5;1-2/h5-12,20H,1-4H3;5-6H,2-4H2,1H3;2H,1H3
InChIKeyAOTQMYQHDDZWGJ-UHFFFAOYSA-N
XLogP5.81
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine 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 5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine?
The IUPAC name of 5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine (CID 144724488) is 5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine.
What is the SMILES notation for 5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine?
The canonical SMILES for 5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine is CC1CCCN1.CO.Cc1cc2cc(-c3cccc(C(C)(C)C)c3)ccc2[nH]1.
What is the InChIKey of 5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine?
The InChIKey is AOTQMYQHDDZWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N.C5H11N.CH4O/c1-13-10-16-11-15(8-9-18(16)20-13)14-6-5-7-17(12-14)19(2,3)4;1-5-3-2-4-6-5;1-2/h5-12,20H,1-4H3;5-6H,2-4H2,1H3;2H,1H3.
What are the key properties of 5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine?
5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine has a molecular weight of 380.58 g/mol, XLogP of 5.81, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylphenyl)-2-methyl-1H-indole;methanol;2-methylpyrrolidine is sourced from PubChem (CID 144724488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).