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

C19H19ClN2 — CID 68564382

IUPAC1-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine
SMILESCNC(C)c1c2n(c3c(C)c(Cl)ccc13)Cc1ccccc1-2
InChIInChI=1S/C19H19ClN2/c1-11-16(20)9-8-15-17(12(2)21-3)19-14-7-5-4-6-13(14)10-22(19)18(11)15/h4-9,12,21H,10H2,1-3H3
InChIKeyYOAJBLDOESRZRZ-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.91
Rot. Bonds2

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

1-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine (PubChem CID 68564382) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine
PubChem CID68564382
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC Name1-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine
SMILESCNC(C)c1c2n(c3c(C)c(Cl)ccc13)Cc1ccccc1-2
InChIInChI=1S/C19H19ClN2/c1-11-16(20)9-8-15-17(12(2)21-3)19-14-7-5-4-6-13(14)10-22(19)18(11)15/h4-9,12,21H,10H2,1-3H3
InChIKeyYOAJBLDOESRZRZ-UHFFFAOYSA-N
XLogP4.91
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine (CID 68564382) is 1-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine is CNC(C)c1c2n(c3c(C)c(Cl)ccc13)Cc1ccccc1-2.
What is the InChIKey of 1-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine?
The InChIKey is YOAJBLDOESRZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-11-16(20)9-8-15-17(12(2)21-3)19-14-7-5-4-6-13(14)10-22(19)18(11)15/h4-9,12,21H,10H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine?
1-(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 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methyl-6H-isoindolo[2,1-a]indol-11-yl)-N-methylethanamine is sourced from PubChem (CID 68564382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).