2-propoxy-N-(pyrazin-2-ylmethyl)aniline

C14H17N3O — CID 62761631

IUPAC2-propoxy-N-(pyrazin-2-ylmethyl)aniline
SMILESCCCOc1ccccc1NCc1cnccn1
InChIInChI=1S/C14H17N3O/c1-2-9-18-14-6-4-3-5-13(14)17-11-12-10-15-7-8-16-12/h3-8,10,17H,2,9,11H2,1H3
InChIKeyCSYMHYWGTVYTJF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.88
Rot. Bonds6

About 2-propoxy-N-(pyrazin-2-ylmethyl)aniline

2-propoxy-N-(pyrazin-2-ylmethyl)aniline (PubChem CID 62761631) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-propoxy-N-(pyrazin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-propoxy-N-(pyrazin-2-ylmethyl)aniline
PubChem CID62761631
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-propoxy-N-(pyrazin-2-ylmethyl)aniline
SMILESCCCOc1ccccc1NCc1cnccn1
InChIInChI=1S/C14H17N3O/c1-2-9-18-14-6-4-3-5-13(14)17-11-12-10-15-7-8-16-12/h3-8,10,17H,2,9,11H2,1H3
InChIKeyCSYMHYWGTVYTJF-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
CID 62748401
2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline
CID 83961694
[2-(pyrazin-2-ylmethylamino)phenyl]methanol
CID 62762007
N-[(3-methyltriazol-4-yl)methyl]-2-propoxyaniline
CID 115682687
4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide
CID 81226778
N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline
CID 62346504
N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 55110167
2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol
CID 66269794
3-fluoro-N-(2-propoxyphenyl)pyridine-4-carboxamide
CID 115645463
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
2-(1,1,2,2,2-pentafluoroethyl)-N-(pyrazin-2-ylmethyl)aniline
CID 167903059
N-(3,3-dimethylbutyl)-2-propoxyaniline
CID 63427056

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-(pyrazin-2-ylmethyl)aniline?
The IUPAC name of 2-propoxy-N-(pyrazin-2-ylmethyl)aniline (CID 62761631) is 2-propoxy-N-(pyrazin-2-ylmethyl)aniline.
What is the SMILES notation for 2-propoxy-N-(pyrazin-2-ylmethyl)aniline?
The canonical SMILES for 2-propoxy-N-(pyrazin-2-ylmethyl)aniline is CCCOc1ccccc1NCc1cnccn1.
What is the InChIKey of 2-propoxy-N-(pyrazin-2-ylmethyl)aniline?
The InChIKey is CSYMHYWGTVYTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-9-18-14-6-4-3-5-13(14)17-11-12-10-15-7-8-16-12/h3-8,10,17H,2,9,11H2,1H3.
What are the key properties of 2-propoxy-N-(pyrazin-2-ylmethyl)aniline?
2-propoxy-N-(pyrazin-2-ylmethyl)aniline has a molecular weight of 243.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-(pyrazin-2-ylmethyl)aniline is sourced from PubChem (CID 62761631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).