1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine

C15H19N3O — CID 105178740

IUPAC1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine
SMILESCOc1nccnc1C(N)CCc1ccccc1C
InChIInChI=1S/C15H19N3O/c1-11-5-3-4-6-12(11)7-8-13(16)14-15(19-2)18-10-9-17-14/h3-6,9-10,13H,7-8,16H2,1-2H3
InChIKeyMDHDCVBJQDKKJP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.43
Rot. Bonds5

About 1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine

1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine (PubChem CID 105178740) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine
PubChem CID105178740
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine
SMILESCOc1nccnc1C(N)CCc1ccccc1C
InChIInChI=1S/C15H19N3O/c1-11-5-3-4-6-12(11)7-8-13(16)14-15(19-2)18-10-9-17-14/h3-6,9-10,13H,7-8,16H2,1-2H3
InChIKeyMDHDCVBJQDKKJP-UHFFFAOYSA-N
XLogP2.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 104515880
1-(3-methoxypyrazin-2-yl)decan-1-amine
CID 105032041
N-[1-(3-methoxypyrazin-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 104515448
1-(4-ethoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 105140845
1-(3,3-dimethoxypropyl)-2-methylbenzene
CID 102208154
3-(2-methylphenyl)-1-quinolin-6-ylpropan-1-amine
CID 105172408
1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine
CID 66447930
4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
CID 43175879
4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902
2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 113421578
1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol
CID 105124030
[1-(3-methoxypyrazin-2-yl)-4-phenylbutyl]hydrazine
CID 105332694

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine (CID 105178740) is 1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine is COc1nccnc1C(N)CCc1ccccc1C.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine?
The InChIKey is MDHDCVBJQDKKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-5-3-4-6-12(11)7-8-13(16)14-15(19-2)18-10-9-17-14/h3-6,9-10,13H,7-8,16H2,1-2H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine?
1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 105178740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).