2-[2-(4-methylphenyl)ethyl]pyrazine

C13H14N2 — CID 141390825

IUPAC2-[2-(4-methylphenyl)ethyl]pyrazine
SMILESCc1ccc(CCc2cnccn2)cc1
InChIInChI=1S/C13H14N2/c1-11-2-4-12(5-3-11)6-7-13-10-14-8-9-15-13/h2-5,8-10H,6-7H2,1H3
InChIKeyNGUUHWGEXRRSIP-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.57
Rot. Bonds3

About 2-[2-(4-methylphenyl)ethyl]pyrazine

2-[2-(4-methylphenyl)ethyl]pyrazine (PubChem CID 141390825) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)ethyl]pyrazine.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)ethyl]pyrazine
PubChem CID141390825
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name2-[2-(4-methylphenyl)ethyl]pyrazine
SMILESCc1ccc(CCc2cnccn2)cc1
InChIInChI=1S/C13H14N2/c1-11-2-4-12(5-3-11)6-7-13-10-14-8-9-15-13/h2-5,8-10H,6-7H2,1H3
InChIKeyNGUUHWGEXRRSIP-UHFFFAOYSA-N
XLogP2.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
CID 110483781
2-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyrazine
CID 159470050
2-methyl-5-[2-[5-[2-(4-methylphenyl)ethyl]-2-pyridinyl]ethyl]pyrimidine
CID 166649577
3-[(4-methylphenyl)methyl]-N-(2-pyrazin-2-ylethyl)azetidine-1-carboxamide
CID 136553112
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
4-[2-(5-methyl-2-pyridinyl)ethyl]aniline
CID 10013428
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
2-(4-chlorobutyl)pyrazine
CID 54142215
2-(2-methylsulfonylethyl)pyrazine
CID 102287651
2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762139
4-[2-(4-methylphenyl)ethyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one
CID 56793366
2-(4-phenylphenyl)-N-(2-pyrazin-2-ylethyl)acetamide
CID 29029737

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)ethyl]pyrazine?
The IUPAC name of 2-[2-(4-methylphenyl)ethyl]pyrazine (CID 141390825) is 2-[2-(4-methylphenyl)ethyl]pyrazine.
What is the SMILES notation for 2-[2-(4-methylphenyl)ethyl]pyrazine?
The canonical SMILES for 2-[2-(4-methylphenyl)ethyl]pyrazine is Cc1ccc(CCc2cnccn2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)ethyl]pyrazine?
The InChIKey is NGUUHWGEXRRSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-11-2-4-12(5-3-11)6-7-13-10-14-8-9-15-13/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 2-[2-(4-methylphenyl)ethyl]pyrazine?
2-[2-(4-methylphenyl)ethyl]pyrazine has a molecular weight of 198.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)ethyl]pyrazine is sourced from PubChem (CID 141390825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).