2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine

C11H12Cl2N2 — CID 706128

IUPAC2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2c(Cl)c(Cl)ccc2c1CCN
InChIInChI=1S/C11H12Cl2N2/c1-6-7(4-5-14)8-2-3-9(12)10(13)11(8)15-6/h2-3,15H,4-5,14H2,1H3
InChIKeyRKLLUQRANMGAGX-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.28
Rot. Bonds2

About 2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine

2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 706128) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine
PubChem CID706128
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2c(Cl)c(Cl)ccc2c1CCN
InChIInChI=1S/C11H12Cl2N2/c1-6-7(4-5-14)8-2-3-9(12)10(13)11(8)15-6/h2-3,15H,4-5,14H2,1H3
InChIKeyRKLLUQRANMGAGX-UHFFFAOYSA-N
XLogP3.28
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

ST-1936
CID 9921064
5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
CID 10131112
6-Chloro-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
CID 19807233
6-Chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride
CID 24761095
4,6-Dichloro-2-methyl-3-aminoethylindole
CID 1381961
8-Chloro-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole
CID 904970
2-chloro-9H-carbazole
CID 2752388
5-Chloro-2-methyl-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 15619875
1H-Indole-3-ethanamine, 7-chloro-
CID 145709
{2-[2-(4-Chloro-phenyl)-1H-indol-3-yl]-ethyl}-ethyl-methyl-amine
CID 44324056
2-(7-Chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 601380
6-chloro-2-phenyl-1H-indole
CID 10609364

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine (CID 706128) is 2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine is Cc1[nH]c2c(Cl)c(Cl)ccc2c1CCN.
What is the InChIKey of 2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is RKLLUQRANMGAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-6-7(4-5-14)8-2-3-9(12)10(13)11(8)15-6/h2-3,15H,4-5,14H2,1H3.
What are the key properties of 2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine?
2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 243.14 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 706128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).