N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine

C15H19N3O — CID 107381984

IUPACN-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine
SMILESCNCc1cnc(Oc2c(C)ccc(C)c2C)cn1
InChIInChI=1S/C15H19N3O/c1-10-5-6-11(2)15(12(10)3)19-14-9-17-13(7-16-4)8-18-14/h5-6,8-9,16H,7H2,1-4H3
InChIKeySETRRJUQHOCLAG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.91
Rot. Bonds4

About N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine

N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine (PubChem CID 107381984) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine
PubChem CID107381984
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine
SMILESCNCc1cnc(Oc2c(C)ccc(C)c2C)cn1
InChIInChI=1S/C15H19N3O/c1-10-5-6-11(2)15(12(10)3)19-14-9-17-13(7-16-4)8-18-14/h5-6,8-9,16H,7H2,1-4H3
InChIKeySETRRJUQHOCLAG-UHFFFAOYSA-N
XLogP2.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381985
1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine
CID 107381641
N-methyl-1-(5-naphthalen-1-yloxypyrazin-2-yl)methanamine
CID 107381908
N-methyl-1-(5-propan-2-yloxypyrazin-2-yl)methanamine
CID 107381456
N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908199
N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381682
1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine
CID 107381689
1-[5-(5-chloroquinolin-8-yl)oxypyrazin-2-yl]-N-methylmethanamine
CID 107381926
3-(chloromethyl)-6-(2,3,6-trimethylphenoxy)pyridazine
CID 61269742
1-[5-(cyclopropylmethoxy)pyrazin-2-yl]-N-methylmethanamine
CID 107381569
N-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine
CID 107381462
[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine
CID 107381680

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine (CID 107381984) is N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine is CNCc1cnc(Oc2c(C)ccc(C)c2C)cn1.
What is the InChIKey of N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine?
The InChIKey is SETRRJUQHOCLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-5-6-11(2)15(12(10)3)19-14-9-17-13(7-16-4)8-18-14/h5-6,8-9,16H,7H2,1-4H3.
What are the key properties of N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine?
N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 107381984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).