2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline

C14H17N3O — CID 83961694

IUPAC2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline
SMILESCCOc1ccc(C)cc1NCc1cnccn1
InChIInChI=1S/C14H17N3O/c1-3-18-14-5-4-11(2)8-13(14)17-10-12-9-15-6-7-16-12/h4-9,17H,3,10H2,1-2H3
InChIKeyKRRKARXKZXYOLZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.80
Rot. Bonds5

About 2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline

2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline (PubChem CID 83961694) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline
PubChem CID83961694
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline
SMILESCCOc1ccc(C)cc1NCc1cnccn1
InChIInChI=1S/C14H17N3O/c1-3-18-14-5-4-11(2)8-13(14)17-10-12-9-15-6-7-16-12/h4-9,17H,3,10H2,1-2H3
InChIKeyKRRKARXKZXYOLZ-UHFFFAOYSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62761631
5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline
CID 83961735
5-[(dimethylamino)methyl]-2-methoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62761096
4-fluoro-2-methyl-N-(pyrazin-2-ylmethyl)aniline
CID 62761968
2-ethoxy-N-(3-methoxypropyl)-5-methylaniline
CID 83961689
1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine
CID 83962412
2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62762564
N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619216
N-(2-methoxy-5-methylphenyl)-2-pyrazin-2-ylethanimine
CID 90457301
2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline
CID 83961718
2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756640
2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408609

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline?
The IUPAC name of 2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline (CID 83961694) is 2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline.
What is the SMILES notation for 2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline?
The canonical SMILES for 2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline is CCOc1ccc(C)cc1NCc1cnccn1.
What is the InChIKey of 2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline?
The InChIKey is KRRKARXKZXYOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-18-14-5-4-11(2)8-13(14)17-10-12-9-15-6-7-16-12/h4-9,17H,3,10H2,1-2H3.
What are the key properties of 2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline?
2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline has a molecular weight of 243.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methyl-N-(pyrazin-2-ylmethyl)aniline is sourced from PubChem (CID 83961694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).