N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine

C14H16FN3O — CID 54582799

IUPACN-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc(F)cc2OC)n1
InChIInChI=1S/C14H16FN3O/c1-3-16-7-11-8-17-9-13(18-11)12-5-4-10(15)6-14(12)19-2/h4-6,8-9,16H,3,7H2,1-2H3
InChIKeyWPBRGSPFSJGKNQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.40
Rot. Bonds5

About N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine

N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine (PubChem CID 54582799) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine
PubChem CID54582799
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc(F)cc2OC)n1
InChIInChI=1S/C14H16FN3O/c1-3-16-7-11-8-17-9-13(18-11)12-5-4-10(15)6-14(12)19-2/h4-6,8-9,16H,3,7H2,1-2H3
InChIKeyWPBRGSPFSJGKNQ-UHFFFAOYSA-N
XLogP2.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine (CID 54582799) is N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine is CCNCc1cncc(-c2ccc(F)cc2OC)n1.
What is the InChIKey of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine?
The InChIKey is WPBRGSPFSJGKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-16-7-11-8-17-9-13(18-11)12-5-4-10(15)6-14(12)19-2/h4-6,8-9,16H,3,7H2,1-2H3.
What are the key properties of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine?
N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine has a molecular weight of 261.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 54582799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).