(6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine

C11H12Cl2N2 — CID 83678498

IUPAC(6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine
SMILESCCc1[nH]c2c(Cl)c(Cl)ccc2c1CN
InChIInChI=1S/C11H12Cl2N2/c1-2-9-7(5-14)6-3-4-8(12)10(13)11(6)15-9/h3-4,15H,2,5,14H2,1H3
InChIKeyONFWQGVMTWNNMB-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.50
Rot. Bonds2

About (6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine

(6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine (PubChem CID 83678498) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is (6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine
PubChem CID83678498
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name(6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine
SMILESCCc1[nH]c2c(Cl)c(Cl)ccc2c1CN
InChIInChI=1S/C11H12Cl2N2/c1-2-9-7(5-14)6-3-4-8(12)10(13)11(6)15-9/h3-4,15H,2,5,14H2,1H3
InChIKeyONFWQGVMTWNNMB-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine?
The IUPAC name of (6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine (CID 83678498) is (6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine.
What is the SMILES notation for (6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine?
The canonical SMILES for (6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine is CCc1[nH]c2c(Cl)c(Cl)ccc2c1CN.
What is the InChIKey of (6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine?
The InChIKey is ONFWQGVMTWNNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-2-9-7(5-14)6-3-4-8(12)10(13)11(6)15-9/h3-4,15H,2,5,14H2,1H3.
What are the key properties of (6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine?
(6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine has a molecular weight of 243.14 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dichloro-2-ethyl-1H-indol-3-yl)methanamine is sourced from PubChem (CID 83678498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).