1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

C16H21N3O2 — CID 62847891

IUPAC1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCCOc1ccc(CNCc2cnc(C)cn2)cc1OC
InChIInChI=1S/C16H21N3O2/c1-4-21-15-6-5-13(7-16(15)20-3)9-17-10-14-11-18-12(2)8-19-14/h5-8,11,17H,4,9-10H2,1-3H3
InChIKeyUPHDLQBWCBSAPI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.48
Rot. Bonds7

About 1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (PubChem CID 62847891) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
PubChem CID62847891
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCCOc1ccc(CNCc2cnc(C)cn2)cc1OC
InChIInChI=1S/C16H21N3O2/c1-4-21-15-6-5-13(7-16(15)20-3)9-17-10-14-11-18-12(2)8-19-14/h5-8,11,17H,4,9-10H2,1-3H3
InChIKeyUPHDLQBWCBSAPI-UHFFFAOYSA-N
XLogP2.48
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60736257
N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 60887964
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 60657358
1-(3,5-dibromo-4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62847538
1-(4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62846962
2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 63172671
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463346
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
5-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-1-ol
CID 17206733

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (CID 62847891) is 1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is CCOc1ccc(CNCc2cnc(C)cn2)cc1OC.
What is the InChIKey of 1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The InChIKey is UPHDLQBWCBSAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-21-15-6-5-13(7-16(15)20-3)9-17-10-14-11-18-12(2)8-19-14/h5-8,11,17H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is sourced from PubChem (CID 62847891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).