1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine

C16H21N3 — CID 115860660

IUPAC1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1cnccn1)c1ccccc1C(C)(C)C
InChIInChI=1S/C16H21N3/c1-16(2,3)13-8-6-5-7-12(13)15(17-4)14-11-18-9-10-19-14/h5-11,15,17H,1-4H3
InChIKeyXWSDKPHFYABKAA-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.08
Rot. Bonds3

About 1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine

1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine (PubChem CID 115860660) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
PubChem CID115860660
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1cnccn1)c1ccccc1C(C)(C)C
InChIInChI=1S/C16H21N3/c1-16(2,3)13-8-6-5-7-12(13)15(17-4)14-11-18-9-10-19-14/h5-11,15,17H,1-4H3
InChIKeyXWSDKPHFYABKAA-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-naphthalen-1-yl-1-pyrazin-2-ylmethanamine
CID 62791384
1-(3-bromo-2-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860344
N-methyl-1,1-di(pyrazin-2-yl)methanamine
CID 63968599
1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 55085229
1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 55085542
1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 107984997
1-(2-cyclobutylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 114602735
1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64714340
N-methyl-1-(4-propan-2-ylphenyl)-1-pyrazin-2-ylmethanamine
CID 55120381
1-(1-benzofuran-2-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 63969228
1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 62801136
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-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The IUPAC name of 1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine (CID 115860660) is 1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The canonical SMILES for 1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine is CNC(c1cnccn1)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The InChIKey is XWSDKPHFYABKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2,3)13-8-6-5-7-12(13)15(17-4)14-11-18-9-10-19-14/h5-11,15,17H,1-4H3.
What are the key properties of 1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine is sourced from PubChem (CID 115860660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).