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

C10H9Cl2IN2 — CID 170427465

IUPAC2-(6,7-dichloro-3-iodo-1H-indol-2-yl)ethanamine
SMILESNCCc1[nH]c2c(Cl)c(Cl)ccc2c1I
InChIInChI=1S/C10H9Cl2IN2/c11-6-2-1-5-9(13)7(3-4-14)15-10(5)8(6)12/h1-2,15H,3-4,14H2
InChIKeyICEABACQHRSDJU-UHFFFAOYSA-N
MW355.01 g/mol
LogP3.58
Rot. Bonds2

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

2-(6,7-dichloro-3-iodo-1H-indol-2-yl)ethanamine (PubChem CID 170427465) has the molecular formula C10H9Cl2IN2 and a molecular weight of 355.01 g/mol. Its IUPAC name is 2-(6,7-dichloro-3-iodo-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6,7-dichloro-3-iodo-1H-indol-2-yl)ethanamine
PubChem CID170427465
Molecular FormulaC10H9Cl2IN2
Molecular Weight355.01 g/mol
Exact Mass353.92
IUPAC Name2-(6,7-dichloro-3-iodo-1H-indol-2-yl)ethanamine
SMILESNCCc1[nH]c2c(Cl)c(Cl)ccc2c1I
InChIInChI=1S/C10H9Cl2IN2/c11-6-2-1-5-9(13)7(3-4-14)15-10(5)8(6)12/h1-2,15H,3-4,14H2
InChIKeyICEABACQHRSDJU-UHFFFAOYSA-N
XLogP3.58
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.01
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-3-iodo-1H-indol-2-yl)ethanamine?
The IUPAC name of 2-(6,7-dichloro-3-iodo-1H-indol-2-yl)ethanamine (CID 170427465) is 2-(6,7-dichloro-3-iodo-1H-indol-2-yl)ethanamine.
What is the SMILES notation for 2-(6,7-dichloro-3-iodo-1H-indol-2-yl)ethanamine?
The canonical SMILES for 2-(6,7-dichloro-3-iodo-1H-indol-2-yl)ethanamine is NCCc1[nH]c2c(Cl)c(Cl)ccc2c1I.
What is the InChIKey of 2-(6,7-dichloro-3-iodo-1H-indol-2-yl)ethanamine?
The InChIKey is ICEABACQHRSDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2IN2/c11-6-2-1-5-9(13)7(3-4-14)15-10(5)8(6)12/h1-2,15H,3-4,14H2.
What are the key properties of 2-(6,7-dichloro-3-iodo-1H-indol-2-yl)ethanamine?
2-(6,7-dichloro-3-iodo-1H-indol-2-yl)ethanamine has a molecular weight of 355.01 g/mol, XLogP of 3.58, 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-iodo-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 170427465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).