[5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine

C15H22N4O — CID 82209561

IUPAC[5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine
SMILESCCc1c(CN)nnn1CCCOc1cccc(C)c1
InChIInChI=1S/C15H22N4O/c1-3-15-14(11-16)17-18-19(15)8-5-9-20-13-7-4-6-12(2)10-13/h4,6-7,10H,3,5,8-9,11,16H2,1-2H3
InChIKeyBRKSYMKZVIXEHD-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.08
Rot. Bonds7

About [5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine

[5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine (PubChem CID 82209561) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine
PubChem CID82209561
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine
SMILESCCc1c(CN)nnn1CCCOc1cccc(C)c1
InChIInChI=1S/C15H22N4O/c1-3-15-14(11-16)17-18-19(15)8-5-9-20-13-7-4-6-12(2)10-13/h4,6-7,10H,3,5,8-9,11,16H2,1-2H3
InChIKeyBRKSYMKZVIXEHD-UHFFFAOYSA-N
XLogP2.08
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(3-methylphenoxy)ethyl]-5-propyltriazol-4-yl]methanamine
CID 82209115
[5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 82209124
[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine
CID 82208944
[5-(2-methylpropyl)-1-(4-phenoxybutyl)triazol-4-yl]methanamine
CID 82209707
ethyl 5-amino-1-[4-(3-methylphenoxy)butyl]triazole-4-carboxylate
CID 94945292
1-[4-(3-methylphenoxy)butyl]-5-(2-methylpropyl)triazole-4-carbaldehyde
CID 94945284
5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine
CID 51000041
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
[5-[(2,6-dimethylphenoxy)methyl]-1-pentyltriazol-4-yl]methanamine
CID 82205870
1-[2-(3-methylphenoxy)ethyl]-5-propyltriazole-4-carbaldehyde
CID 82209076
[1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanol
CID 62401478
[5-[(2,5-dimethylphenoxy)methyl]-1-hexyltriazol-4-yl]methanamine
CID 94944132

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine?
The IUPAC name of [5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine (CID 82209561) is [5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine.
What is the SMILES notation for [5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine?
The canonical SMILES for [5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine is CCc1c(CN)nnn1CCCOc1cccc(C)c1.
What is the InChIKey of [5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine?
The InChIKey is BRKSYMKZVIXEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-15-14(11-16)17-18-19(15)8-5-9-20-13-7-4-6-12(2)10-13/h4,6-7,10H,3,5,8-9,11,16H2,1-2H3.
What are the key properties of [5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine?
[5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine has a molecular weight of 274.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine is sourced from PubChem (CID 82209561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).