N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine

C17H24N4O — CID 46987913

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine
SMILESC=CCc1ccccc1OCCN(C)Cc1ncnn1CC
InChIInChI=1S/C17H24N4O/c1-4-8-15-9-6-7-10-16(15)22-12-11-20(3)13-17-18-14-19-21(17)5-2/h4,6-7,9-10,14H,1,5,8,11-13H2,2-3H3
InChIKeyQWRBHDMJBRZVOM-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.54
Rot. Bonds9

About N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine (PubChem CID 46987913) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine
PubChem CID46987913
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine
SMILESC=CCc1ccccc1OCCN(C)Cc1ncnn1CC
InChIInChI=1S/C17H24N4O/c1-4-8-15-9-6-7-10-16(15)22-12-11-20(3)13-17-18-14-19-21(17)5-2/h4,6-7,9-10,14H,1,5,8,11-13H2,2-3H3
InChIKeyQWRBHDMJBRZVOM-UHFFFAOYSA-N
XLogP2.54
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
2-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 80673751
2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide
CID 82108611
2-(2-prop-2-enylphenoxy)ethanamine chloride
CID 21228786
2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16996414
methyl 4-(2-prop-2-enylphenoxy)butanoate
CID 43608103
1-ethyl-2-hept-6-enoxybenzene
CID 107010566
3-[2-(2-ethylphenoxy)ethyl-methylamino]propane-1,2-diol
CID 46986793
N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine
CID 2934658
1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
CID 14224427
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 75439736
3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde
CID 2229149

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine (CID 46987913) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine is C=CCc1ccccc1OCCN(C)Cc1ncnn1CC.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine?
The InChIKey is QWRBHDMJBRZVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-8-15-9-6-7-10-16(15)22-12-11-20(3)13-17-18-14-19-21(17)5-2/h4,6-7,9-10,14H,1,5,8,11-13H2,2-3H3.
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine has a molecular weight of 300.41 g/mol, XLogP of 2.54, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-prop-2-enylphenoxy)ethanamine is sourced from PubChem (CID 46987913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).