N,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine

C12H13F3N2 — CID 164763830

IUPACN,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine
SMILESCN(C)CCc1c(F)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C12H13F3N2/c1-17(2)6-5-8-7-3-4-9(13)10(14)11(7)16-12(8)15/h3-4,16H,5-6H2,1-2H3
InChIKeyPKKGHHMSHMKIOD-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.69
Rot. Bonds3

About N,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine

N,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine (PubChem CID 164763830) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine
PubChem CID164763830
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC NameN,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine
SMILESCN(C)CCc1c(F)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C12H13F3N2/c1-17(2)6-5-8-7-3-4-9(13)10(14)11(7)16-12(8)15/h3-4,16H,5-6H2,1-2H3
InChIKeyPKKGHHMSHMKIOD-UHFFFAOYSA-N
XLogP2.69
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine (CID 164763830) is N,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine is CN(C)CCc1c(F)[nH]c2c(F)c(F)ccc12.
What is the InChIKey of N,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine?
The InChIKey is PKKGHHMSHMKIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c1-17(2)6-5-8-7-3-4-9(13)10(14)11(7)16-12(8)15/h3-4,16H,5-6H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine?
N,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine has a molecular weight of 242.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 164763830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).