N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine

C14H16FN3O — CID 107382235

IUPACN-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cc(C)ccc2F)cn1
InChIInChI=1S/C14H16FN3O/c1-3-16-7-11-8-18-14(9-17-11)19-13-6-10(2)4-5-12(13)15/h4-6,8-9,16H,3,7H2,1-2H3
InChIKeySMHGXGLBDCGPHI-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.83
Rot. Bonds5

About N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine

N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine (PubChem CID 107382235) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
PubChem CID107382235
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2cc(C)ccc2F)cn1
InChIInChI=1S/C14H16FN3O/c1-3-16-7-11-8-18-14(9-17-11)19-13-6-10(2)4-5-12(13)15/h4-6,8-9,16H,3,7H2,1-2H3
InChIKeySMHGXGLBDCGPHI-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107382234
N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine
CID 64856226
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928781
N-[[5-(2-ethylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382000
N-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381761
N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 64853314
N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189385
N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381649
N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381985
N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381915
N-[[5-(2,6-dimethoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381670
N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 64855811

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine (CID 107382235) is N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine is CCNCc1cnc(Oc2cc(C)ccc2F)cn1.
What is the InChIKey of N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine?
The InChIKey is SMHGXGLBDCGPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-16-7-11-8-18-14(9-17-11)19-13-6-10(2)4-5-12(13)15/h4-6,8-9,16H,3,7H2,1-2H3.
What are the key properties of N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine?
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine has a molecular weight of 261.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 107382235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).