2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine

C19H19ClN2 — CID 10380727

IUPAC2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c2n(c3c(Cl)cccc13)Cc1ccccc1-2
InChIInChI=1S/C19H19ClN2/c1-21(2)11-10-16-15-8-5-9-17(20)19(15)22-12-13-6-3-4-7-14(13)18(16)22/h3-9H,10-12H2,1-2H3
InChIKeyJEGDFELMZFMZOH-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.43
Rot. Bonds3

About 2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine

2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine (PubChem CID 10380727) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine
PubChem CID10380727
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC Name2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c2n(c3c(Cl)cccc13)Cc1ccccc1-2
InChIInChI=1S/C19H19ClN2/c1-21(2)11-10-16-15-8-5-9-17(20)19(15)22-12-13-6-3-4-7-14(13)18(16)22/h3-9H,10-12H2,1-2H3
InChIKeyJEGDFELMZFMZOH-UHFFFAOYSA-N
XLogP4.43
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine (CID 10380727) is 2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine is CN(C)CCc1c2n(c3c(Cl)cccc13)Cc1ccccc1-2.
What is the InChIKey of 2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine?
The InChIKey is JEGDFELMZFMZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-21(2)11-10-16-15-8-5-9-17(20)19(15)22-12-13-6-3-4-7-14(13)18(16)22/h3-9H,10-12H2,1-2H3.
What are the key properties of 2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine?
2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine has a molecular weight of 310.83 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6H-isoindolo[2,1-a]indol-11-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 10380727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).