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

C10H10ClFN2 — CID 84679356

IUPAC2-(3-chloro-6-fluoro-1H-indol-2-yl)ethanamine
SMILESNCCc1[nH]c2cc(F)ccc2c1Cl
InChIInChI=1S/C10H10ClFN2/c11-10-7-2-1-6(12)5-9(7)14-8(10)3-4-13/h1-2,5,14H,3-4,13H2
InChIKeyVQVVKRQFMHQHKN-UHFFFAOYSA-N
MW212.66 g/mol
LogP2.46
Rot. Bonds2

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

2-(3-chloro-6-fluoro-1H-indol-2-yl)ethanamine (PubChem CID 84679356) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is 2-(3-chloro-6-fluoro-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-6-fluoro-1H-indol-2-yl)ethanamine
PubChem CID84679356
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name2-(3-chloro-6-fluoro-1H-indol-2-yl)ethanamine
SMILESNCCc1[nH]c2cc(F)ccc2c1Cl
InChIInChI=1S/C10H10ClFN2/c11-10-7-2-1-6(12)5-9(7)14-8(10)3-4-13/h1-2,5,14H,3-4,13H2
InChIKeyVQVVKRQFMHQHKN-UHFFFAOYSA-N
XLogP2.46
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
2-[4-(2,4-difluorophenyl)-1H-imidazol-5-yl]ethanamine
CID 82287061
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84627861
4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one
CID 14624971
2-chloro-7-fluoro-9H-pyrimido[4,5-b]indole
CID 170973177
2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 84632127
2-[2-[(2-chloro-4-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95473112
2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 28806617
2-(6,7-dichloro-3-iodo-1H-indol-2-yl)ethanamine
CID 170427465
2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine
CID 83849204
2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane
CID 145044312

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-fluoro-1H-indol-2-yl)ethanamine?
The IUPAC name of 2-(3-chloro-6-fluoro-1H-indol-2-yl)ethanamine (CID 84679356) is 2-(3-chloro-6-fluoro-1H-indol-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-6-fluoro-1H-indol-2-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-6-fluoro-1H-indol-2-yl)ethanamine is NCCc1[nH]c2cc(F)ccc2c1Cl.
What is the InChIKey of 2-(3-chloro-6-fluoro-1H-indol-2-yl)ethanamine?
The InChIKey is VQVVKRQFMHQHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2/c11-10-7-2-1-6(12)5-9(7)14-8(10)3-4-13/h1-2,5,14H,3-4,13H2.
What are the key properties of 2-(3-chloro-6-fluoro-1H-indol-2-yl)ethanamine?
2-(3-chloro-6-fluoro-1H-indol-2-yl)ethanamine has a molecular weight of 212.66 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-fluoro-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 84679356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).