N-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine

C15H19N3 — CID 102612284

IUPACN-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1ccc(CNC(C)c2nccnc2C)cc1
InChIInChI=1S/C15H19N3/c1-11-4-6-14(7-5-11)10-18-13(3)15-12(2)16-8-9-17-15/h4-9,13,18H,10H2,1-3H3
InChIKeyACKODLXSXKBMRI-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.94
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine

N-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine (PubChem CID 102612284) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
PubChem CID102612284
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1ccc(CNC(C)c2nccnc2C)cc1
InChIInChI=1S/C15H19N3/c1-11-4-6-14(7-5-11)10-18-13(3)15-12(2)16-8-9-17-15/h4-9,13,18H,10H2,1-3H3
InChIKeyACKODLXSXKBMRI-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpyrazin-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 102612485
N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612241
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 114080332
1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612282
N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612221
1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 102613114
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 102612589
N-[(4-methylphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103952879
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102613006
3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612905
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine
CID 102613282

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine (CID 102612284) is N-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine is Cc1ccc(CNC(C)c2nccnc2C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The InChIKey is ACKODLXSXKBMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-4-6-14(7-5-11)10-18-13(3)15-12(2)16-8-9-17-15/h4-9,13,18H,10H2,1-3H3.
What are the key properties of N-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
N-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine has a molecular weight of 241.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine is sourced from PubChem (CID 102612284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).