1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine

C18H18F3N3 — CID 166317215

IUPAC1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
SMILESCc1cc(C(F)(F)F)ncc1CNC(C)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H18F3N3/c1-11-7-17(18(19,20)21)23-10-14(11)9-22-12(2)16-8-13-5-3-4-6-15(13)24-16/h3-8,10,12,22,24H,9H2,1-2H3
InChIKeyJZDLWBRVZHWMIU-UHFFFAOYSA-N
MW333.36 g/mol
LogP4.74
Rot. Bonds4

About 1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine

1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine (PubChem CID 166317215) has the molecular formula C18H18F3N3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
PubChem CID166317215
Molecular FormulaC18H18F3N3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
SMILESCc1cc(C(F)(F)F)ncc1CNC(C)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H18F3N3/c1-11-7-17(18(19,20)21)23-10-14(11)9-22-12(2)16-8-13-5-3-4-6-15(13)24-16/h3-8,10,12,22,24H,9H2,1-2H3
InChIKeyJZDLWBRVZHWMIU-UHFFFAOYSA-N
XLogP4.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of 1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine (CID 166317215) is 1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for 1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine is Cc1cc(C(F)(F)F)ncc1CNC(C)c1cc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is JZDLWBRVZHWMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3/c1-11-7-17(18(19,20)21)23-10-14(11)9-22-12(2)16-8-13-5-3-4-6-15(13)24-16/h3-8,10,12,22,24H,9H2,1-2H3.
What are the key properties of 1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 333.36 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-yl)-N-[[4-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 166317215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).