1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine

C13H15N3O — CID 62761074

IUPAC1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2cnccn2)cc1
InChIInChI=1S/C13H15N3O/c1-17-13-4-2-11(3-5-13)8-15-10-12-9-14-6-7-16-12/h2-7,9,15H,8,10H2,1H3
InChIKeyLYACUQDAWIHKRG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.77
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine

1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine (PubChem CID 62761074) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine
PubChem CID62761074
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2cnccn2)cc1
InChIInChI=1S/C13H15N3O/c1-17-13-4-2-11(3-5-13)8-15-10-12-9-14-6-7-16-12/h2-7,9,15H,8,10H2,1H3
InChIKeyLYACUQDAWIHKRG-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

1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine
CID 106486252
1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618961
1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-(pyrazin-2-ylmethyl)methanamine
CID 112722216
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride
CID 47013530
2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62762564
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
2-methoxy-5-[2-(pyrazin-2-ylmethylamino)ethoxy]aniline
CID 146622840
N-[[6-[(4-methoxyphenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
CID 66449623
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyrazin-2-ylmethanamine
CID 106370109
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine (CID 62761074) is 1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine is COc1ccc(CNCc2cnccn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine?
The InChIKey is LYACUQDAWIHKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-13-4-2-11(3-5-13)8-15-10-12-9-14-6-7-16-12/h2-7,9,15H,8,10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine?
1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)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 1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine is sourced from PubChem (CID 62761074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).