2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine

C15H22N4O2 — CID 66205422

IUPAC2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(CCc2ccc(OC)cc2)nn1
InChIInChI=1S/C15H22N4O2/c1-20-10-8-16-11-14-12-19(18-17-14)9-7-13-3-5-15(21-2)6-4-13/h3-6,12,16H,7-11H2,1-2H3
InChIKeyVEGNMEKFTFFLSR-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.27
Rot. Bonds9

About 2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine

2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine (PubChem CID 66205422) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine
PubChem CID66205422
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(CCc2ccc(OC)cc2)nn1
InChIInChI=1S/C15H22N4O2/c1-20-10-8-16-11-14-12-19(18-17-14)9-7-13-3-5-15(21-2)6-4-13/h3-6,12,16H,7-11H2,1-2H3
InChIKeyVEGNMEKFTFFLSR-UHFFFAOYSA-N
XLogP1.27
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.27
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

2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine
CID 66204828
N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine
CID 66192486
2-methoxy-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]ethanamine
CID 66204200
N-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 66192493
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 102879879
3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-1-amine
CID 106220877
1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine
CID 79529466
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720459
2-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]ethanamine
CID 79794826
2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66204818
[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine
CID 62456677
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 103014130

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine (CID 66205422) is 2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine is COCCNCc1cn(CCc2ccc(OC)cc2)nn1.
What is the InChIKey of 2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is VEGNMEKFTFFLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-20-10-8-16-11-14-12-19(18-17-14)9-7-13-3-5-15(21-2)6-4-13/h3-6,12,16H,7-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 290.37 g/mol, XLogP of 1.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66205422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).