N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine

C16H21N3O2 — CID 104516007

IUPACN-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(C)c1)c1nccnc1OC
InChIInChI=1S/C16H21N3O2/c1-5-17-14(15-16(21-4)19-9-8-18-15)12-6-7-13(20-3)11(2)10-12/h6-10,14,17H,5H2,1-4H3
InChIKeyAFUAMIULSHFGKJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.50
Rot. Bonds6

About N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine

N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine (PubChem CID 104516007) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
PubChem CID104516007
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(C)c1)c1nccnc1OC
InChIInChI=1S/C16H21N3O2/c1-5-17-14(15-16(21-4)19-9-8-18-15)12-6-7-13(20-3)11(2)10-12/h6-10,14,17H,5H2,1-4H3
InChIKeyAFUAMIULSHFGKJ-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 105031993
N-[(3,4-dimethylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032115
N-[(3-methoxypyrazin-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 104515368
N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104515338
1-(3,4-dimethylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031923
[(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105192205
N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493633
N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81316265
N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 114906631
N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104515889
N-[(2,4-difluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493625
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine (CID 104516007) is N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine is CCNC(c1ccc(OC)c(C)c1)c1nccnc1OC.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The InChIKey is AFUAMIULSHFGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-17-14(15-16(21-4)19-9-8-18-15)12-6-7-13(20-3)11(2)10-12/h6-10,14,17H,5H2,1-4H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 104516007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).