2-(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine

C11H12ClFN2 — CID 68559992

IUPAC2-(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2c(F)c(Cl)ccc2c1CCN
InChIInChI=1S/C11H12ClFN2/c1-6-7(4-5-14)8-2-3-9(12)10(13)11(8)15-6/h2-3,15H,4-5,14H2,1H3
InChIKeyWPWUHTYWTQRRNK-UHFFFAOYSA-N
MW226.68 g/mol
LogP2.77
Rot. Bonds2

About 2-(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine

2-(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 68559992) has the molecular formula C11H12ClFN2 and a molecular weight of 226.68 g/mol. Its IUPAC name is 2-(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine
PubChem CID68559992
Molecular FormulaC11H12ClFN2
Molecular Weight226.68 g/mol
Exact Mass226.07
IUPAC Name2-(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2c(F)c(Cl)ccc2c1CCN
InChIInChI=1S/C11H12ClFN2/c1-6-7(4-5-14)8-2-3-9(12)10(13)11(8)15-6/h2-3,15H,4-5,14H2,1H3
InChIKeyWPWUHTYWTQRRNK-UHFFFAOYSA-N
XLogP2.77
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 52.77
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-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine (CID 68559992) is 2-(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine is Cc1[nH]c2c(F)c(Cl)ccc2c1CCN.
What is the InChIKey of 2-(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is WPWUHTYWTQRRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2/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-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine?
2-(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 226.68 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 68559992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).