(2-ethoxyphenyl)-pyrazin-2-ylmethanamine

C13H15N3O — CID 62801551

IUPAC(2-ethoxyphenyl)-pyrazin-2-ylmethanamine
SMILESCCOc1ccccc1C(N)c1cnccn1
InChIInChI=1S/C13H15N3O/c1-2-17-12-6-4-3-5-10(12)13(14)11-9-15-7-8-16-11/h3-9,13H,2,14H2,1H3
InChIKeyNSBMZHZDIXPVOI-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.92
Rot. Bonds4

About (2-ethoxyphenyl)-pyrazin-2-ylmethanamine

(2-ethoxyphenyl)-pyrazin-2-ylmethanamine (PubChem CID 62801551) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (2-ethoxyphenyl)-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name(2-ethoxyphenyl)-pyrazin-2-ylmethanamine
PubChem CID62801551
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(2-ethoxyphenyl)-pyrazin-2-ylmethanamine
SMILESCCOc1ccccc1C(N)c1cnccn1
InChIInChI=1S/C13H15N3O/c1-2-17-12-6-4-3-5-10(12)13(14)11-9-15-7-8-16-11/h3-9,13H,2,14H2,1H3
InChIKeyNSBMZHZDIXPVOI-UHFFFAOYSA-N
XLogP1.92
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromophenyl)-pyrazin-2-ylmethanamine
CID 63970477
(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708459
[(2-ethoxyphenyl)-pyridin-2-ylmethyl]hydrazine
CID 105195729
(3-bromo-2-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860529
[[2-(2-methoxyethoxy)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 105203487
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
(2-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82729596
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
1-(2-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 55120655
(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 113330367
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-pyrazin-2-ylmethanamine?
The IUPAC name of (2-ethoxyphenyl)-pyrazin-2-ylmethanamine (CID 62801551) is (2-ethoxyphenyl)-pyrazin-2-ylmethanamine.
What is the SMILES notation for (2-ethoxyphenyl)-pyrazin-2-ylmethanamine?
The canonical SMILES for (2-ethoxyphenyl)-pyrazin-2-ylmethanamine is CCOc1ccccc1C(N)c1cnccn1.
What is the InChIKey of (2-ethoxyphenyl)-pyrazin-2-ylmethanamine?
The InChIKey is NSBMZHZDIXPVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-17-12-6-4-3-5-10(12)13(14)11-9-15-7-8-16-11/h3-9,13H,2,14H2,1H3.
What are the key properties of (2-ethoxyphenyl)-pyrazin-2-ylmethanamine?
(2-ethoxyphenyl)-pyrazin-2-ylmethanamine has a molecular weight of 229.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-pyrazin-2-ylmethanamine is sourced from PubChem (CID 62801551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).