1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine

C14H17N3 — CID 55085229

IUPAC1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1cnccn1)c1cccc(C)c1C
InChIInChI=1S/C14H17N3/c1-10-5-4-6-12(11(10)2)14(15-3)13-9-16-7-8-17-13/h4-9,14-15H,1-3H3
InChIKeyMOFFPBBWHKUKMS-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.40
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine

1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine (PubChem CID 55085229) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
PubChem CID55085229
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1cnccn1)c1cccc(C)c1C
InChIInChI=1S/C14H17N3/c1-10-5-4-6-12(11(10)2)14(15-3)13-9-16-7-8-17-13/h4-9,14-15H,1-3H3
InChIKeyMOFFPBBWHKUKMS-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 107984997
1-(3-bromo-2-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860344
1-(2,3-dimethylphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62548536
N-methyl-1-naphthalen-1-yl-1-pyrazin-2-ylmethanamine
CID 62791384
N-methyl-1,1-di(pyrazin-2-yl)methanamine
CID 63968599
1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860660
[(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308730
1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64714340
1-(2,3-dimethylphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 62548873
1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105140563
1-(2-cyclobutylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 114602735
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 105149963

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine (CID 55085229) is 1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine is CNC(c1cnccn1)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The InChIKey is MOFFPBBWHKUKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-5-4-6-12(11(10)2)14(15-3)13-9-16-7-8-17-13/h4-9,14-15H,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine is sourced from PubChem (CID 55085229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).