1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine

C14H16FN3 — CID 62414083

IUPAC1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)c2cccc(F)c2)cn1
InChIInChI=1S/C14H16FN3/c1-10-7-18-14(8-16-10)9-17-11(2)12-4-3-5-13(15)6-12/h3-8,11,17H,9H2,1-2H3
InChIKeyAXWOHWIJSSIWBA-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.77
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine

1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine (PubChem CID 62414083) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
PubChem CID62414083
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)c2cccc(F)c2)cn1
InChIInChI=1S/C14H16FN3/c1-10-7-18-14(8-16-10)9-17-11(2)12-4-3-5-13(15)6-12/h3-8,11,17H,9H2,1-2H3
InChIKeyAXWOHWIJSSIWBA-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43770212
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 55122035
(1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine
CID 81353377
(1R)-1-(3-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81369930
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81369918
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 60694693
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 104878345
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365032
(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803
N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105093021
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 113246407

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine (CID 62414083) is 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine is Cc1cnc(CNC(C)c2cccc(F)c2)cn1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is AXWOHWIJSSIWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10-7-18-14(8-16-10)9-17-11(2)12-4-3-5-13(15)6-12/h3-8,11,17H,9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 245.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 62414083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).