N-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine

C19H22FN3 — CID 53321494

IUPACN-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine
SMILESCN(CCF)CCC1=C(Cc2cnccn2)c2ccccc2C1
InChIInChI=1S/C19H22FN3/c1-23(11-7-20)10-6-16-12-15-4-2-3-5-18(15)19(16)13-17-14-21-8-9-22-17/h2-5,8-9,14H,6-7,10-13H2,1H3
InChIKeyPNSJAJNXVSKCBP-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.32
Rot. Bonds7

About N-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine

N-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine (PubChem CID 53321494) has the molecular formula C19H22FN3 and a molecular weight of 311.40 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine
PubChem CID53321494
Molecular FormulaC19H22FN3
Molecular Weight311.40 g/mol
Exact Mass311.18
IUPAC NameN-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine
SMILESCN(CCF)CCC1=C(Cc2cnccn2)c2ccccc2C1
InChIInChI=1S/C19H22FN3/c1-23(11-7-20)10-6-16-12-15-4-2-3-5-18(15)19(16)13-17-14-21-8-9-22-17/h2-5,8-9,14H,6-7,10-13H2,1H3
InChIKeyPNSJAJNXVSKCBP-UHFFFAOYSA-N
XLogP3.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
The IUPAC name of N-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine (CID 53321494) is N-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine.
What is the SMILES notation for N-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
The canonical SMILES for N-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine is CN(CCF)CCC1=C(Cc2cnccn2)c2ccccc2C1.
What is the InChIKey of N-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
The InChIKey is PNSJAJNXVSKCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3/c1-23(11-7-20)10-6-16-12-15-4-2-3-5-18(15)19(16)13-17-14-21-8-9-22-17/h2-5,8-9,14H,6-7,10-13H2,1H3.
What are the key properties of N-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
N-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine has a molecular weight of 311.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-methyl-2-[3-(pyrazin-2-ylmethyl)-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 53321494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).