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

C13H18N4O2 — CID 66204828

IUPAC2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C13H18N4O2/c1-18-8-7-14-9-11-10-17(16-15-11)12-3-5-13(19-2)6-4-12/h3-6,10,14H,7-9H2,1-2H3
InChIKeyMSISYDXGKKQEDL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.01
Rot. Bonds7

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

2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine (PubChem CID 66204828) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine
PubChem CID66204828
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C13H18N4O2/c1-18-8-7-14-9-11-10-17(16-15-11)12-3-5-13(19-2)6-4-12/h3-6,10,14H,7-9H2,1-2H3
InChIKeyMSISYDXGKKQEDL-UHFFFAOYSA-N
XLogP1.01
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.01
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

1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carbaldehyde
CID 14872469
[1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 49803437
trans-(1R,2S)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 164612273
1H-1,2,3-Triazole, 4-(phenoxymethyl)-1-phenyl-
CID 851737
1-(2-methoxyphenyl)-4-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)piperazine
CID 44412269
N,N-Diethyl-3-(1-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)-1H-1,2,3-triazol-4-yl)propan-1-amine
CID 45481891
1-[[1-(6-Fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 72544566
1-[[1-[2-(2-Fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 72544789
1-[[1-[2-[2-(2-Fluoroethoxy)ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 72545007
1-[[1-[4-(2-Fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 72545011
1-[[1-[4-(3-Fluoropropoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 72545238
1-[[1-[4-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 72545239

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine (CID 66204828) is 2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine is COCCNCc1cn(-c2ccc(OC)cc2)nn1.
What is the InChIKey of 2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine?
The InChIKey is MSISYDXGKKQEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-18-8-7-14-9-11-10-17(16-15-11)12-3-5-13(19-2)6-4-12/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine has a molecular weight of 262.31 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66204828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).