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

C11H12Cl2N2 — CID 83868273

IUPAC2-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine
SMILESCc1c(CCN)[nH]c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C11H12Cl2N2/c1-6-7-2-3-8(12)10(13)11(7)15-9(6)4-5-14/h2-3,15H,4-5,14H2,1H3
InChIKeyKTYBSEGMGWKKMN-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.28
Rot. Bonds2

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

2-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine (PubChem CID 83868273) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine
PubChem CID83868273
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name2-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine
SMILESCc1c(CCN)[nH]c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C11H12Cl2N2/c1-6-7-2-3-8(12)10(13)11(7)15-9(6)4-5-14/h2-3,15H,4-5,14H2,1H3
InChIKeyKTYBSEGMGWKKMN-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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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine?
The IUPAC name of 2-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine (CID 83868273) is 2-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine.
What is the SMILES notation for 2-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine?
The canonical SMILES for 2-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine is Cc1c(CCN)[nH]c2c(Cl)c(Cl)ccc12.
What is the InChIKey of 2-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine?
The InChIKey is KTYBSEGMGWKKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-6-7-2-3-8(12)10(13)11(7)15-9(6)4-5-14/h2-3,15H,4-5,14H2,1H3.
What are the key properties of 2-(6,7-dichloro-3-methyl-1H-indol-2-yl)ethanamine?
2-(6,7-dichloro-3-methyl-1H-indol-2-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-3-methyl-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 83868273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).