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

C11H12Cl2N2 — CID 83868266

IUPAC1-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine
SMILESCc1c(C(C)N)[nH]c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C11H12Cl2N2/c1-5-7-3-4-8(12)9(13)11(7)15-10(5)6(2)14/h3-4,6,15H,14H2,1-2H3
InChIKeyMCINALRMSIZRLV-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.80
Rot. Bonds1

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

1-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine (PubChem CID 83868266) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine
PubChem CID83868266
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name1-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine
SMILESCc1c(C(C)N)[nH]c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C11H12Cl2N2/c1-5-7-3-4-8(12)9(13)11(7)15-10(5)6(2)14/h3-4,6,15H,14H2,1-2H3
InChIKeyMCINALRMSIZRLV-UHFFFAOYSA-N
XLogP3.80
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.80
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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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine?
The IUPAC name of 1-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine (CID 83868266) is 1-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine.
What is the SMILES notation for 1-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine?
The canonical SMILES for 1-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine is Cc1c(C(C)N)[nH]c2c(Cl)c(Cl)ccc12.
What is the InChIKey of 1-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine?
The InChIKey is MCINALRMSIZRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-5-7-3-4-8(12)9(13)11(7)15-10(5)6(2)14/h3-4,6,15H,14H2,1-2H3.
What are the key properties of 1-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine?
1-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine has a molecular weight of 243.14 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 83868266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).