1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine

C13H14ClN3 — CID 115860556

IUPAC1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1ccc(Cl)c(C)c1)c1cnccn1
InChIInChI=1S/C13H14ClN3/c1-9-7-10(3-4-11(9)14)13(15-2)12-8-16-5-6-17-12/h3-8,13,15H,1-2H3
InChIKeyMDCQWKXVCQQPOJ-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.75
Rot. Bonds3

About 1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine

1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine (PubChem CID 115860556) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
PubChem CID115860556
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1ccc(Cl)c(C)c1)c1cnccn1
InChIInChI=1S/C13H14ClN3/c1-9-7-10(3-4-11(9)14)13(15-2)12-8-16-5-6-17-12/h3-8,13,15H,1-2H3
InChIKeyMDCQWKXVCQQPOJ-UHFFFAOYSA-N
XLogP2.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 63969023
N-methyl-1-(4-propan-2-ylphenyl)-1-pyrazin-2-ylmethanamine
CID 55120381
1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860583
N-methyl-1-(6-methyl-3-pyridinyl)-1-pyrazin-2-ylmethanamine
CID 63156012
1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 55085542
N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62537896
N-methyl-1,1-di(pyrazin-2-yl)methanamine
CID 63968599
1-(4-chloro-3-methylphenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 115853154
1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64714340
[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308636
1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 55085229
(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860386

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine (CID 115860556) is 1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine is CNC(c1ccc(Cl)c(C)c1)c1cnccn1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The InChIKey is MDCQWKXVCQQPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9-7-10(3-4-11(9)14)13(15-2)12-8-16-5-6-17-12/h3-8,13,15H,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine has a molecular weight of 247.73 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine is sourced from PubChem (CID 115860556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).