2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine

C19H19ClN2 — CID 10470680

IUPAC2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine
SMILESCNCCc1c2n(c3c(C)c(Cl)ccc13)Cc1ccccc1-2
InChIInChI=1S/C19H19ClN2/c1-12-17(20)8-7-15-16(9-10-21-2)19-14-6-4-3-5-13(14)11-22(19)18(12)15/h3-8,21H,9-11H2,1-2H3
InChIKeyXGRSVPOXOQSHFF-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.39
Rot. Bonds3

About 2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine

2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine (PubChem CID 10470680) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine
PubChem CID10470680
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC Name2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine
SMILESCNCCc1c2n(c3c(C)c(Cl)ccc13)Cc1ccccc1-2
InChIInChI=1S/C19H19ClN2/c1-12-17(20)8-7-15-16(9-10-21-2)19-14-6-4-3-5-13(14)11-22(19)18(12)15/h3-8,21H,9-11H2,1-2H3
InChIKeyXGRSVPOXOQSHFF-UHFFFAOYSA-N
XLogP4.39
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine (CID 10470680) is 2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine is CNCCc1c2n(c3c(C)c(Cl)ccc13)Cc1ccccc1-2.
What is the InChIKey of 2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine?
The InChIKey is XGRSVPOXOQSHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-12-17(20)8-7-15-16(9-10-21-2)19-14-6-4-3-5-13(14)11-22(19)18(12)15/h3-8,21H,9-11H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine?
2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine has a molecular weight of 310.83 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine is sourced from PubChem (CID 10470680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).