3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine

C14H16ClN3 — CID 126561646

IUPAC3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine
SMILESCc1ccc(C(C)N(C)c2nccnc2Cl)cc1
InChIInChI=1S/C14H16ClN3/c1-10-4-6-12(7-5-10)11(2)18(3)14-13(15)16-8-9-17-14/h4-9,11H,1-3H3
InChIKeyNPDACNJMHNFIRS-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.64
Rot. Bonds3

About 3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine

3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine (PubChem CID 126561646) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine
PubChem CID126561646
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine
SMILESCc1ccc(C(C)N(C)c2nccnc2Cl)cc1
InChIInChI=1S/C14H16ClN3/c1-10-4-6-12(7-5-10)11(2)18(3)14-13(15)16-8-9-17-14/h4-9,11H,1-3H3
InChIKeyNPDACNJMHNFIRS-UHFFFAOYSA-N
XLogP3.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine (CID 126561646) is 3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine is Cc1ccc(C(C)N(C)c2nccnc2Cl)cc1.
What is the InChIKey of 3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine?
The InChIKey is NPDACNJMHNFIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-4-6-12(7-5-10)11(2)18(3)14-13(15)16-8-9-17-14/h4-9,11H,1-3H3.
What are the key properties of 3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine?
3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine has a molecular weight of 261.76 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 126561646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).