2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine

C18H28N4O — CID 67987204

IUPAC2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine
SMILESCc1[nH]c2c(OCCNCCN3CCCC3)ccc(N)c2c1C
InChIInChI=1S/C18H28N4O/c1-13-14(2)21-18-16(6-5-15(19)17(13)18)23-12-8-20-7-11-22-9-3-4-10-22/h5-6,20-21H,3-4,7-12,19H2,1-2H3
InChIKeyBHHXKPBWGUDBLF-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.43
Rot. Bonds7

About 2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine

2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine (PubChem CID 67987204) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine
PubChem CID67987204
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine
SMILESCc1[nH]c2c(OCCNCCN3CCCC3)ccc(N)c2c1C
InChIInChI=1S/C18H28N4O/c1-13-14(2)21-18-16(6-5-15(19)17(13)18)23-12-8-20-7-11-22-9-3-4-10-22/h5-6,20-21H,3-4,7-12,19H2,1-2H3
InChIKeyBHHXKPBWGUDBLF-UHFFFAOYSA-N
XLogP2.43
TPSA66.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-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 2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine?
The IUPAC name of 2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine (CID 67987204) is 2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine.
What is the SMILES notation for 2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine?
The canonical SMILES for 2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine is Cc1[nH]c2c(OCCNCCN3CCCC3)ccc(N)c2c1C.
What is the InChIKey of 2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine?
The InChIKey is BHHXKPBWGUDBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-13-14(2)21-18-16(6-5-15(19)17(13)18)23-12-8-20-7-11-22-9-3-4-10-22/h5-6,20-21H,3-4,7-12,19H2,1-2H3.
What are the key properties of 2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine?
2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine has a molecular weight of 316.45 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-[2-(2-pyrrolidin-1-ylethylamino)ethoxy]-1H-indol-4-amine is sourced from PubChem (CID 67987204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).