N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine

C13H15N3O — CID 106486252

IUPACN-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine
SMILESCNCc1ccc(OCc2cnccn2)cc1
InChIInChI=1S/C13H15N3O/c1-14-8-11-2-4-13(5-3-11)17-10-12-9-15-6-7-16-12/h2-7,9,14H,8,10H2,1H3
InChIKeyUKTUMINTIFJWRN-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.77
Rot. Bonds5

About N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine

N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine (PubChem CID 106486252) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine
PubChem CID106486252
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine
SMILESCNCc1ccc(OCc2cnccn2)cc1
InChIInChI=1S/C13H15N3O/c1-14-8-11-2-4-13(5-3-11)17-10-12-9-15-6-7-16-12/h2-7,9,14H,8,10H2,1H3
InChIKeyUKTUMINTIFJWRN-UHFFFAOYSA-N
XLogP1.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine hydrochloride
CID 2960264
(4-Ethoxy-benzyl)-pyridin-3-ylmethyl-amine
CID 834002
2-(4-Butoxyphenyl)pyridine
CID 11322128
2-(4-Butoxy-phenyl)-pyrazine
CID 11345209
2-(4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 564290
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 2346513
2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]pyridine
CID 10015132
1-[Benzyl(methyl)amino]-3-[4-({[(5-ethylpyridin-2-yl)methyl]amino}methyl)phenoxy]propan-2-ol
CID 16191158
2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]pyrazine
CID 44362288
3-N-(2-phenoxyethyl)-5-N-[(1S)-1-phenylethyl]pyridine-3,5-diamine
CID 44393004
N-methyl-1-[6-methyl-4-(2-methylphenoxy)-3-pyridinyl]methanamine
CID 44453093
(S)-1-(6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl)-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 54582822

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine (CID 106486252) is N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine is CNCc1ccc(OCc2cnccn2)cc1.
What is the InChIKey of N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine?
The InChIKey is UKTUMINTIFJWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-14-8-11-2-4-13(5-3-11)17-10-12-9-15-6-7-16-12/h2-7,9,14H,8,10H2,1H3.
What are the key properties of N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine?
N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 106486252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).