4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline

C14H16FN3 — CID 102613284

IUPAC4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
SMILESCc1cc(F)ccc1NC(C)c1nccnc1C
InChIInChI=1S/C14H16FN3/c1-9-8-12(15)4-5-13(9)18-11(3)14-10(2)16-6-7-17-14/h4-8,11,18H,1-3H3
InChIKeyFWJOFQNCGBJBKH-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.41
Rot. Bonds3

About 4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline

4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline (PubChem CID 102613284) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
PubChem CID102613284
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
SMILESCc1cc(F)ccc1NC(C)c1nccnc1C
InChIInChI=1S/C14H16FN3/c1-9-8-12(15)4-5-13(9)18-11(3)14-10(2)16-6-7-17-14/h4-8,11,18H,1-3H3
InChIKeyFWJOFQNCGBJBKH-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613140
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
CID 119044004
1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
CID 102612474
N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102612936
3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613155
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 83069686
2-[1-(4-fluoro-2-methylanilino)ethyl]benzene-1,4-diol
CID 43195958
4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64828369
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754
4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylaniline
CID 83118311
4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline
CID 43195979
6-bromo-N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 102613385

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline (CID 102613284) is 4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline is Cc1cc(F)ccc1NC(C)c1nccnc1C.
What is the InChIKey of 4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
The InChIKey is FWJOFQNCGBJBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9-8-12(15)4-5-13(9)18-11(3)14-10(2)16-6-7-17-14/h4-8,11,18H,1-3H3.
What are the key properties of 4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline has a molecular weight of 245.30 g/mol, XLogP of 3.41, 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-[1-(3-methylpyrazin-2-yl)ethyl]aniline is sourced from PubChem (CID 102613284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).