2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine

C12H14ClFN2 — CID 135333171

IUPAC2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine
SMILESCc1cc(F)c(Cl)c2c1cc(C)n2CCN
InChIInChI=1S/C12H14ClFN2/c1-7-5-10(14)11(13)12-9(7)6-8(2)16(12)4-3-15/h5-6H,3-4,15H2,1-2H3
InChIKeyQVKIDKQVDVLTBG-UHFFFAOYSA-N
MW240.71 g/mol
LogP3.01
Rot. Bonds2

About 2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine

2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine (PubChem CID 135333171) has the molecular formula C12H14ClFN2 and a molecular weight of 240.71 g/mol. Its IUPAC name is 2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine
PubChem CID135333171
Molecular FormulaC12H14ClFN2
Molecular Weight240.71 g/mol
Exact Mass240.08
IUPAC Name2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine
SMILESCc1cc(F)c(Cl)c2c1cc(C)n2CCN
InChIInChI=1S/C12H14ClFN2/c1-7-5-10(14)11(13)12-9(7)6-8(2)16(12)4-3-15/h5-6H,3-4,15H2,1-2H3
InChIKeyQVKIDKQVDVLTBG-UHFFFAOYSA-N
XLogP3.01
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine?
The IUPAC name of 2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine (CID 135333171) is 2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine.
What is the SMILES notation for 2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine?
The canonical SMILES for 2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine is Cc1cc(F)c(Cl)c2c1cc(C)n2CCN.
What is the InChIKey of 2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine?
The InChIKey is QVKIDKQVDVLTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2/c1-7-5-10(14)11(13)12-9(7)6-8(2)16(12)4-3-15/h5-6H,3-4,15H2,1-2H3.
What are the key properties of 2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine?
2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine has a molecular weight of 240.71 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine is sourced from PubChem (CID 135333171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).