N-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine

C19H18F4N2 — CID 67230954

IUPACN-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine
SMILESFC1=CCC2=NC=C(CCN(Cc3ccccc3)CC(F)(F)F)C2=C1
InChIInChI=1S/C19H18F4N2/c20-16-6-7-18-17(10-16)15(11-24-18)8-9-25(13-19(21,22)23)12-14-4-2-1-3-5-14/h1-6,10-11H,7-9,12-13H2
InChIKeyIBYCRLKQTGIJDY-UHFFFAOYSA-N
MW350.36 g/mol
LogP4.96
Rot. Bonds6

About N-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine

N-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine (PubChem CID 67230954) has the molecular formula C19H18F4N2 and a molecular weight of 350.36 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine
PubChem CID67230954
Molecular FormulaC19H18F4N2
Molecular Weight350.36 g/mol
Exact Mass350.14
IUPAC NameN-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine
SMILESFC1=CCC2=NC=C(CCN(Cc3ccccc3)CC(F)(F)F)C2=C1
InChIInChI=1S/C19H18F4N2/c20-16-6-7-18-17(10-16)15(11-24-18)8-9-25(13-19(21,22)23)12-14-4-2-1-3-5-14/h1-6,10-11H,7-9,12-13H2
InChIKeyIBYCRLKQTGIJDY-UHFFFAOYSA-N
XLogP4.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine?
The IUPAC name of N-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine (CID 67230954) is N-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine is FC1=CCC2=NC=C(CCN(Cc3ccccc3)CC(F)(F)F)C2=C1.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine?
The InChIKey is IBYCRLKQTGIJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2/c20-16-6-7-18-17(10-16)15(11-24-18)8-9-25(13-19(21,22)23)12-14-4-2-1-3-5-14/h1-6,10-11H,7-9,12-13H2.
What are the key properties of N-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine?
N-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine has a molecular weight of 350.36 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 67230954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).