4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline

C12H12FN3 — CID 62761968

IUPAC4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline
SMILESCc1cc(F)ccc1NCc1cnccn1
InChIInChI=1S/C12H12FN3/c1-9-6-10(13)2-3-12(9)16-8-11-7-14-4-5-15-11/h2-7,16H,8H2,1H3
InChIKeyQHDDMGLIWUFIBY-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.54
Rot. Bonds3

About 4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline

4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline (PubChem CID 62761968) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline
PubChem CID62761968
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline
SMILESCc1cc(F)ccc1NCc1cnccn1
InChIInChI=1S/C12H12FN3/c1-9-6-10(13)2-3-12(9)16-8-11-7-14-4-5-15-11/h2-7,16H,8H2,1H3
InChIKeyQHDDMGLIWUFIBY-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline
CID 792097
4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline
CID 167757454
4-fluoro-2-methyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757742
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588
2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline
CID 83961694
4-fluoro-N-(isoquinolin-4-ylmethyl)-2-methylaniline
CID 115884124
N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine
CID 62134419
4-fluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylaniline
CID 28584179
5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
CID 63673297
2-[(4-fluoro-2-methylanilino)methyl]-6-methylpyridin-3-ol
CID 79163164
4-fluoro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115685525
N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 29043434

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline?
The IUPAC name of 4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline (CID 62761968) is 4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline is Cc1cc(F)ccc1NCc1cnccn1.
What is the InChIKey of 4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline?
The InChIKey is QHDDMGLIWUFIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-9-6-10(13)2-3-12(9)16-8-11-7-14-4-5-15-11/h2-7,16H,8H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline?
4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline has a molecular weight of 217.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline is sourced from PubChem (CID 62761968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).