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

C19H21ClN2 — CID 68567885

IUPAC2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine
SMILESCCc1c2n(c3ccc(Cl)cc13)Cc1ccccc1-2.CNC
InChIInChI=1S/C17H14ClN.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
InChIKeyIPSILNINKKPFOK-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.72
Rot. Bonds1

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

2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine (PubChem CID 68567885) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine.

Molecular Properties

Compound Name2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine
PubChem CID68567885
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine
SMILESCCc1c2n(c3ccc(Cl)cc13)Cc1ccccc1-2.CNC
InChIInChI=1S/C17H14ClN.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
InChIKeyIPSILNINKKPFOK-UHFFFAOYSA-N
XLogP4.72
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
The IUPAC name of 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine (CID 68567885) is 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine.
What is the SMILES notation for 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
The canonical SMILES for 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine is CCc1c2n(c3ccc(Cl)cc13)Cc1ccccc1-2.CNC.
What is the InChIKey of 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
The InChIKey is IPSILNINKKPFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN.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-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine has a molecular weight of 312.84 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine is sourced from PubChem (CID 68567885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).