[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine

C13H18N4O2 — CID 62456677

IUPAC[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine
SMILESCOc1ccc(COCCn2cc(CN)nn2)cc1
InChIInChI=1S/C13H18N4O2/c1-18-13-4-2-11(3-5-13)10-19-7-6-17-9-12(8-14)15-16-17/h2-5,9H,6-8,10,14H2,1H3
InChIKeyYAJNXJAEDUHELM-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.96
Rot. Bonds7

About [1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine

[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine (PubChem CID 62456677) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is [1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine
PubChem CID62456677
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine
SMILESCOc1ccc(COCCn2cc(CN)nn2)cc1
InChIInChI=1S/C13H18N4O2/c1-18-13-4-2-11(3-5-13)10-19-7-6-17-9-12(8-14)15-16-17/h2-5,9H,6-8,10,14H2,1H3
InChIKeyYAJNXJAEDUHELM-UHFFFAOYSA-N
XLogP0.96
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(2-phenylmethoxyethyl)triazol-4-yl]methanamine
CID 62444449
1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63575381
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine
CID 106220877
[1-[2-(2-bromo-4-methoxyphenoxy)ethyl]triazol-4-yl]methanamine
CID 104708429
[1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 62455620
[1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine
CID 106667738
1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine
CID 79529466
2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine
CID 66205422
2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine
CID 115460281
[1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine
CID 62455320
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine (CID 62456677) is [1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine is COc1ccc(COCCn2cc(CN)nn2)cc1.
What is the InChIKey of [1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine?
The InChIKey is YAJNXJAEDUHELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-18-13-4-2-11(3-5-13)10-19-7-6-17-9-12(8-14)15-16-17/h2-5,9H,6-8,10,14H2,1H3.
What are the key properties of [1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine?
[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine has a molecular weight of 262.31 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62456677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).