2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine

C21H22ClN3O — CID 145305221

IUPAC2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine
SMILESCc1ccc2cc(-c3cc4cc(Cl)c(OCCN(C)C)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C21H22ClN3O/c1-13-4-5-14-10-19(23-17(14)8-13)20-11-15-9-16(22)21(12-18(15)24-20)26-7-6-25(2)3/h4-5,8-12,23-24H,6-7H2,1-3H3
InChIKeyPBKZMXKCAJUPFE-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.22
Rot. Bonds5

About 2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine

2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine (PubChem CID 145305221) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine
PubChem CID145305221
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine
SMILESCc1ccc2cc(-c3cc4cc(Cl)c(OCCN(C)C)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C21H22ClN3O/c1-13-4-5-14-10-19(23-17(14)8-13)20-11-15-9-16(22)21(12-18(15)24-20)26-7-6-25(2)3/h4-5,8-12,23-24H,6-7H2,1-3H3
InChIKeyPBKZMXKCAJUPFE-UHFFFAOYSA-N
XLogP5.22
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine (CID 145305221) is 2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine is Cc1ccc2cc(-c3cc4cc(Cl)c(OCCN(C)C)cc4[nH]3)[nH]c2c1.
What is the InChIKey of 2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine?
The InChIKey is PBKZMXKCAJUPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-13-4-5-14-10-19(23-17(14)8-13)20-11-15-9-16(22)21(12-18(15)24-20)26-7-6-25(2)3/h4-5,8-12,23-24H,6-7H2,1-3H3.
What are the key properties of 2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine?
2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine has a molecular weight of 367.88 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(6-methyl-1H-indol-2-yl)-1H-indol-6-yl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 145305221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).