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

C14H17N3 — CID 102613155

IUPAC3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
SMILESCc1cccc(NC(C)c2nccnc2C)c1
InChIInChI=1S/C14H17N3/c1-10-5-4-6-13(9-10)17-12(3)14-11(2)15-7-8-16-14/h4-9,12,17H,1-3H3
InChIKeyNGDOAZLECNXXEB-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.27
Rot. Bonds3

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

3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline (PubChem CID 102613155) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
PubChem CID102613155
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
SMILESCc1cccc(NC(C)c2nccnc2C)c1
InChIInChI=1S/C14H17N3/c1-10-5-4-6-13(9-10)17-12(3)14-11(2)15-7-8-16-14/h4-9,12,17H,1-3H3
InChIKeyNGDOAZLECNXXEB-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102612936
3-bromo-4-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613235
N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 102613241
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43189724
N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 102613167
6-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]pyridin-3-amine
CID 102613263
3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline
CID 115975807
4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613284
N-[1-(3-methylpyrazin-2-yl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 102613252
(2R,3R)-3-(3-methylanilino)butan-2-ol
CID 25072640
3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43363069
N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline
CID 114079472

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
The IUPAC name of 3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline (CID 102613155) is 3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline.
What is the SMILES notation for 3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
The canonical SMILES for 3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline is Cc1cccc(NC(C)c2nccnc2C)c1.
What is the InChIKey of 3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
The InChIKey is NGDOAZLECNXXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-5-4-6-13(9-10)17-12(3)14-11(2)15-7-8-16-14/h4-9,12,17H,1-3H3.
What are the key properties of 3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline is sourced from PubChem (CID 102613155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).