N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine

C16H21N3O2 — CID 133471195

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine
SMILESCCOc1cc(CNc2nc(C)cnc2C)ccc1OC
InChIInChI=1S/C16H21N3O2/c1-5-21-15-8-13(6-7-14(15)20-4)10-18-16-12(3)17-9-11(2)19-16/h6-9H,5,10H2,1-4H3,(H,18,19)
InChIKeyNLASHKXYKSOTFI-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.11
Rot. Bonds6

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine (PubChem CID 133471195) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine
PubChem CID133471195
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine
SMILESCCOc1cc(CNc2nc(C)cnc2C)ccc1OC
InChIInChI=1S/C16H21N3O2/c1-5-21-15-8-13(6-7-14(15)20-4)10-18-16-12(3)17-9-11(2)19-16/h6-9H,5,10H2,1-4H3,(H,18,19)
InChIKeyNLASHKXYKSOTFI-UHFFFAOYSA-N
XLogP3.11
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 133468436
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866845
5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 133373882
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline
CID 900370
4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol
CID 113442355
3-bromo-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylaniline
CID 63333064
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[[3-(chloromethyl)phenyl]methyl]-3,6-dimethylpyrazin-2-amine
CID 65028743
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine
CID 104600023
5-bromo-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 142291935
1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62847891

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine (CID 133471195) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine is CCOc1cc(CNc2nc(C)cnc2C)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is NLASHKXYKSOTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-21-15-8-13(6-7-14(15)20-4)10-18-16-12(3)17-9-11(2)19-16/h6-9H,5,10H2,1-4H3,(H,18,19).
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 287.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 133471195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).