3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine

C19H20Cl2N2 — CID 68565725

IUPAC3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine
SMILESCCc1c2n(c3c(Cl)c(Cl)ccc13)Cc1ccccc1-2.CNC
InChIInChI=1S/C17H13Cl2N.C2H7N/c1-2-11-13-7-8-14(18)15(19)17(13)20-9-10-5-3-4-6-12(10)16(11)20;1-3-2/h3-8H,2,9H2,1H3;3H,1-2H3
InChIKeyPHUFBEHPHKTWBA-UHFFFAOYSA-N
MW347.29 g/mol
LogP5.37
Rot. Bonds1

About 3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine

3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine (PubChem CID 68565725) has the molecular formula C19H20Cl2N2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine.

Molecular Properties

Compound Name3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine
PubChem CID68565725
Molecular FormulaC19H20Cl2N2
Molecular Weight347.29 g/mol
Exact Mass346.10
IUPAC Name3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine
SMILESCCc1c2n(c3c(Cl)c(Cl)ccc13)Cc1ccccc1-2.CNC
InChIInChI=1S/C17H13Cl2N.C2H7N/c1-2-11-13-7-8-14(18)15(19)17(13)20-9-10-5-3-4-6-12(10)16(11)20;1-3-2/h3-8H,2,9H2,1H3;3H,1-2H3
InChIKeyPHUFBEHPHKTWBA-UHFFFAOYSA-N
XLogP5.37
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.29
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-Dichloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 12361828
Carbazole, 2-chloro-9-(2-dimethylaminoethyl)-, hydrochloride
CID 38977
Carbazole, 2-chloro-9-(2-pyrrolidinoethyl)-, hydrochloride
CID 38979
2-[1-[(3,4-Dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride
CID 127039620
6,7-Dichloro-1-methyl-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole
CID 163227266
2-[1-[(3,4-Dichlorophenyl)methyl]indol-3-yl]ethanamine
CID 11723454
2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine hydrochloride
CID 16495291
6,7-Dichloro-1,1-dimethyl-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole
CID 172879197
4-[6,7-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3469881
4-[6,7-dichloro-2-(2-chloro-4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3543378
4-[6,7-dichloro-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3677941
4-[6,7-dichloro-2-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3886180

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
The IUPAC name of 3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine (CID 68565725) is 3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine.
What is the SMILES notation for 3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
The canonical SMILES for 3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine is CCc1c2n(c3c(Cl)c(Cl)ccc13)Cc1ccccc1-2.CNC.
What is the InChIKey of 3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
The InChIKey is PHUFBEHPHKTWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N.C2H7N/c1-2-11-13-7-8-14(18)15(19)17(13)20-9-10-5-3-4-6-12(10)16(11)20;1-3-2/h3-8H,2,9H2,1H3;3H,1-2H3.
What are the key properties of 3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine?
3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine has a molecular weight of 347.29 g/mol, XLogP of 5.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-11-ethyl-6H-isoindolo[2,1-a]indole;N-methylmethanamine is sourced from PubChem (CID 68565725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).