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

C19H21BrN2 — CID 68569962

IUPAC2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine
SMILESCCc1c2n(c3ccc(Br)cc13)Cc1ccccc1-2.CNC
InChIInChI=1S/C17H14BrN.C2H7N/c1-2-13-15-9-12(18)7-8-16(15)19-10-11-5-3-4-6-14(11)17(13)19;1-3-2/h3-9H,2,10H2,1H3;3H,1-2H3
InChIKeyJPZLSRGNDOKFEG-UHFFFAOYSA-N
MW357.30 g/mol
LogP4.83
Rot. Bonds1

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

2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine (PubChem CID 68569962) has the molecular formula C19H21BrN2 and a molecular weight of 357.30 g/mol. Its IUPAC name is 2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine.

Molecular Properties

Compound Name2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine
PubChem CID68569962
Molecular FormulaC19H21BrN2
Molecular Weight357.30 g/mol
Exact Mass356.09
IUPAC Name2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine
SMILESCCc1c2n(c3ccc(Br)cc13)Cc1ccccc1-2.CNC
InChIInChI=1S/C17H14BrN.C2H7N/c1-2-13-15-9-12(18)7-8-16(15)19-10-11-5-3-4-6-14(11)17(13)19;1-3-2/h3-9H,2,10H2,1H3;3H,1-2H3
InChIKeyJPZLSRGNDOKFEG-UHFFFAOYSA-N
XLogP4.83
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
The IUPAC name of 2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine (CID 68569962) is 2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine.
What is the SMILES notation for 2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
The canonical SMILES for 2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine is CCc1c2n(c3ccc(Br)cc13)Cc1ccccc1-2.CNC.
What is the InChIKey of 2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
The InChIKey is JPZLSRGNDOKFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN.C2H7N/c1-2-13-15-9-12(18)7-8-16(15)19-10-11-5-3-4-6-14(11)17(13)19;1-3-2/h3-9H,2,10H2,1H3;3H,1-2H3.
What are the key properties of 2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine has a molecular weight of 357.30 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine is sourced from PubChem (CID 68569962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).