1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine

C20H23ClN2 — CID 68567184

IUPAC1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine
SMILESCCc1c2n(c3c(C)ccc(Cl)c13)Cc1ccccc1-2.CNC
InChIInChI=1S/C18H16ClN.C2H7N/c1-3-13-16-15(19)9-8-11(2)17(16)20-10-12-6-4-5-7-14(12)18(13)20;1-3-2/h4-9H,3,10H2,1-2H3;3H,1-2H3
InChIKeyHCAUFRITLNSMLA-UHFFFAOYSA-N
MW326.87 g/mol
LogP5.03
Rot. Bonds1

About 1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine

1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine (PubChem CID 68567184) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine.

Molecular Properties

Compound Name1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine
PubChem CID68567184
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC Name1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine
SMILESCCc1c2n(c3c(C)ccc(Cl)c13)Cc1ccccc1-2.CNC
InChIInChI=1S/C18H16ClN.C2H7N/c1-3-13-16-15(19)9-8-11(2)17(16)20-10-12-6-4-5-7-14(12)18(13)20;1-3-2/h4-9H,3,10H2,1-2H3;3H,1-2H3
InChIKeyHCAUFRITLNSMLA-UHFFFAOYSA-N
XLogP5.03
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.87
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
The IUPAC name of 1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine (CID 68567184) is 1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine.
What is the SMILES notation for 1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
The canonical SMILES for 1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine is CCc1c2n(c3c(C)ccc(Cl)c13)Cc1ccccc1-2.CNC.
What is the InChIKey of 1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
The InChIKey is HCAUFRITLNSMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN.C2H7N/c1-3-13-16-15(19)9-8-11(2)17(16)20-10-12-6-4-5-7-14(12)18(13)20;1-3-2/h4-9H,3,10H2,1-2H3;3H,1-2H3.
What are the key properties of 1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine has a molecular weight of 326.87 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-11-ethyl-4-methyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine is sourced from PubChem (CID 68567184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).