4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline

C14H17N3O2 — CID 55109980

IUPAC4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline
SMILESCOCCOc1ccc(NCc2cnccn2)cc1
InChIInChI=1S/C14H17N3O2/c1-18-8-9-19-14-4-2-12(3-5-14)17-11-13-10-15-6-7-16-13/h2-7,10,17H,8-9,11H2,1H3
InChIKeyAEIWOIZREUWKRK-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.11
Rot. Bonds7

About 4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline

4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline (PubChem CID 55109980) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline
PubChem CID55109980
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline
SMILESCOCCOc1ccc(NCc2cnccn2)cc1
InChIInChI=1S/C14H17N3O2/c1-18-8-9-19-14-4-2-12(3-5-14)17-11-13-10-15-6-7-16-13/h2-7,10,17H,8-9,11H2,1H3
InChIKeyAEIWOIZREUWKRK-UHFFFAOYSA-N
XLogP2.11
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine
CID 83962412
N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide
CID 62763062
3-(2-methoxyethoxymethyl)-N-(pyrazin-2-ylmethyl)aniline
CID 62761310
4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline
CID 62762348
ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate
CID 62762350
4-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 43734131
4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43734233
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 43734134
N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline
CID 62350814
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 43734126
[5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol
CID 64578423
2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62762564

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline?
The IUPAC name of 4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline (CID 55109980) is 4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline is COCCOc1ccc(NCc2cnccn2)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline?
The InChIKey is AEIWOIZREUWKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-8-9-19-14-4-2-12(3-5-14)17-11-13-10-15-6-7-16-13/h2-7,10,17H,8-9,11H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline?
4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline has a molecular weight of 259.31 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline is sourced from PubChem (CID 55109980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).