N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine

C14H20N4O — CID 62452373

IUPACN-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCOc2cccc(C)c2)nn1
InChIInChI=1S/C14H20N4O/c1-3-15-10-13-11-18(17-16-13)7-8-19-14-6-4-5-12(2)9-14/h4-6,9,11,15H,3,7-8,10H2,1-2H3
InChIKeyZDTPBOSJDCHJQI-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.78
Rot. Bonds7

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

N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine (PubChem CID 62452373) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine
PubChem CID62452373
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCOc2cccc(C)c2)nn1
InChIInChI=1S/C14H20N4O/c1-3-15-10-13-11-18(17-16-13)7-8-19-14-6-4-5-12(2)9-14/h4-6,9,11,15H,3,7-8,10H2,1-2H3
InChIKeyZDTPBOSJDCHJQI-UHFFFAOYSA-N
XLogP1.78
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62452374
4-(bromomethyl)-1-[2-(3-methylphenoxy)ethyl]triazole
CID 62401618
[1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanol
CID 62401478
N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 62486782
N-[[1-[2-(3-bromophenoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62458300
4-(2-bromoethyl)-1-[3-(3-methylphenoxy)propyl]triazole
CID 62394785
4-(1-chloroethyl)-1-[2-(3-methylphenoxy)ethyl]triazole
CID 81449183
N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
CID 62450786
N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 62450708
N-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193895
N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62460816
N-[[1-(3-phenoxypropyl)triazol-4-yl]methyl]propan-1-amine
CID 66192386

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine (CID 62452373) is N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(CCOc2cccc(C)c2)nn1.
What is the InChIKey of N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is ZDTPBOSJDCHJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-15-10-13-11-18(17-16-13)7-8-19-14-6-4-5-12(2)9-14/h4-6,9,11,15H,3,7-8,10H2,1-2H3.
What are the key properties of N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 62452373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).