[2-(pyrazin-2-ylmethoxy)phenyl]methanamine

C12H13N3O — CID 82037246

IUPAC[2-(pyrazin-2-ylmethoxy)phenyl]methanamine
SMILESNCc1ccccc1OCc1cnccn1
InChIInChI=1S/C12H13N3O/c13-7-10-3-1-2-4-12(10)16-9-11-8-14-5-6-15-11/h1-6,8H,7,9,13H2
InChIKeyPXJHGJBAJJJMHB-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.51
Rot. Bonds4

About [2-(pyrazin-2-ylmethoxy)phenyl]methanamine

[2-(pyrazin-2-ylmethoxy)phenyl]methanamine (PubChem CID 82037246) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is [2-(pyrazin-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-(pyrazin-2-ylmethoxy)phenyl]methanamine
PubChem CID82037246
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name[2-(pyrazin-2-ylmethoxy)phenyl]methanamine
SMILESNCc1ccccc1OCc1cnccn1
InChIInChI=1S/C12H13N3O/c13-7-10-3-1-2-4-12(10)16-9-11-8-14-5-6-15-11/h1-6,8H,7,9,13H2
InChIKeyPXJHGJBAJJJMHB-UHFFFAOYSA-N
XLogP1.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate
CID 175128653
[2-[(2-phenoxyphenyl)methoxy]phenyl]methanamine
CID 150298277
2-[(2-phenoxyphenyl)methyl]pyrazine
CID 20979280
2-[[3-(aminomethyl)-4-pyridinyl]methoxy]phenol
CID 105487920
[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 54956681
4-[[2-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887638
8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 54909301
[2-(fluoromethoxy)phenyl]methanamine;hydrochloride
CID 158704941
2-(pyrazin-2-ylmethyl)phenol
CID 67682794
5-[(2-ethylphenoxy)methyl]pyrazin-2-amine
CID 103058694
[2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine
CID 114199215
[2-[(2-methoxyphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199233

Frequently Asked Questions

What is the IUPAC name of [2-(pyrazin-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of [2-(pyrazin-2-ylmethoxy)phenyl]methanamine (CID 82037246) is [2-(pyrazin-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [2-(pyrazin-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [2-(pyrazin-2-ylmethoxy)phenyl]methanamine is NCc1ccccc1OCc1cnccn1.
What is the InChIKey of [2-(pyrazin-2-ylmethoxy)phenyl]methanamine?
The InChIKey is PXJHGJBAJJJMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-7-10-3-1-2-4-12(10)16-9-11-8-14-5-6-15-11/h1-6,8H,7,9,13H2.
What are the key properties of [2-(pyrazin-2-ylmethoxy)phenyl]methanamine?
[2-(pyrazin-2-ylmethoxy)phenyl]methanamine has a molecular weight of 215.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyrazin-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 82037246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).