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

C13H18N4O2 — CID 62455620

IUPAC[1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCOCCOc2ccccc2)nn1
InChIInChI=1S/C13H18N4O2/c14-10-12-11-17(16-15-12)6-7-18-8-9-19-13-4-2-1-3-5-13/h1-5,11H,6-10,14H2
InChIKeyPKIFEVLHSFNBCI-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.83
Rot. Bonds8

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

[1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine (PubChem CID 62455620) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is [1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine
PubChem CID62455620
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name[1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCOCCOc2ccccc2)nn1
InChIInChI=1S/C13H18N4O2/c14-10-12-11-17(16-15-12)6-7-18-8-9-19-13-4-2-1-3-5-13/h1-5,11H,6-10,14H2
InChIKeyPKIFEVLHSFNBCI-UHFFFAOYSA-N
XLogP0.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.83
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-(2-phenoxyethoxy)ethyl]triazole-4-carboxylic acid
CID 43151029
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
1-[2-(2-phenoxyethoxy)ethyl]triazole-4-carbohydrazide
CID 63574383
[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine
CID 62456677
1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole
CID 86975191
[1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine
CID 106667738
N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide
CID 131961836
4-(methylsulfonylmethyl)-1-(4-phenoxybutyl)triazole
CID 94945269
2,2,2-trifluoro-N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]acetamide
CID 126842180
1-[2-[2-[4-(aminomethyl)triazol-1-yl]ethoxy]phenyl]ethanone
CID 62055303
[1-[2-(1-bromonaphthalen-2-yl)oxyethyl]triazol-4-yl]methanamine
CID 62486309

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine (CID 62455620) is [1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine is NCc1cn(CCOCCOc2ccccc2)nn1.
What is the InChIKey of [1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine?
The InChIKey is PKIFEVLHSFNBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-10-12-11-17(16-15-12)6-7-18-8-9-19-13-4-2-1-3-5-13/h1-5,11H,6-10,14H2.
What are the key properties of [1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine?
[1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine has a molecular weight of 262.31 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62455620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).