2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine

C16H24N4O2 — CID 46996178

IUPAC2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
SMILESCCOc1ccccc1OCCN(C)Cc1ncnn1CC
InChIInChI=1S/C16H24N4O2/c1-4-20-16(17-13-18-20)12-19(3)10-11-22-15-9-7-6-8-14(15)21-5-2/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyZCOZCLSPOGRCKA-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.21
Rot. Bonds9

About 2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine

2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine (PubChem CID 46996178) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
PubChem CID46996178
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
SMILESCCOc1ccccc1OCCN(C)Cc1ncnn1CC
InChIInChI=1S/C16H24N4O2/c1-4-20-16(17-13-18-20)12-19(3)10-11-22-15-9-7-6-8-14(15)21-5-2/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyZCOZCLSPOGRCKA-UHFFFAOYSA-N
XLogP2.21
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-Ethyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetonitrile
CID 652674
N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine
CID 45809220
2-(2-allylphenoxy)-N-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylethanamine
CID 46987913
2-(2-ethoxyphenoxy)-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]ethanamine
CID 46992179
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propan-1-amine
CID 47053523
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-phenoxypropan-2-amine
CID 50952518
1-[2-(4-Methoxyphenoxy)ethyl]-1-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53499152
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(1-propyltetrazol-5-yl)methyl]ethanamine
CID 53520258
1-[[1-[2-(4-Fluorophenoxy)ethyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2,4-triazole
CID 53566193
1-[[1-[2-(3-Fluorophenoxy)ethyl]pyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2,4-triazole
CID 53571062
1-[4-(4-Ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 53585520
1-[2-(2-Methoxyphenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine
CID 53588579

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine (CID 46996178) is 2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine is CCOc1ccccc1OCCN(C)Cc1ncnn1CC.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine?
The InChIKey is ZCOZCLSPOGRCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-20-16(17-13-18-20)12-19(3)10-11-22-15-9-7-6-8-14(15)21-5-2/h6-9,13H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine?
2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine has a molecular weight of 304.39 g/mol, XLogP of 2.21, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 46996178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).