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

C13H18N4O — CID 62450708

IUPACN-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCOc2ccc(C)cc2)nn1
InChIInChI=1S/C13H18N4O/c1-11-3-5-13(6-4-11)18-8-7-17-10-12(9-14-2)15-16-17/h3-6,10,14H,7-9H2,1-2H3
InChIKeyBCJVSEKOSVSYDV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.38
Rot. Bonds6

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

N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine (PubChem CID 62450708) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
PubChem CID62450708
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCOc2ccc(C)cc2)nn1
InChIInChI=1S/C13H18N4O/c1-11-3-5-13(6-4-11)18-8-7-17-10-12(9-14-2)15-16-17/h3-6,10,14H,7-9H2,1-2H3
InChIKeyBCJVSEKOSVSYDV-UHFFFAOYSA-N
XLogP1.38
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62451375
1-[1-[3-(4-fluorophenoxy)propyl]triazol-4-yl]-N-methylmethanamine
CID 66216655
N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine
CID 107387810
[1-[3-(4-methylphenoxy)propyl]triazol-4-yl]methanol
CID 82209490
1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine
CID 64599895
2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
CID 66215241
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine
CID 66192704
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62452374
N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 62452373
N-[[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62453031
N-[[1-(2-phenoxyethyl)triazol-4-yl]methyl]ethanesulfonamide
CID 131961836
4-(bromomethyl)-1-[2-(4-fluorophenoxy)ethyl]triazole
CID 62401793

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine (CID 62450708) is N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine is CNCc1cn(CCOc2ccc(C)cc2)nn1.
What is the InChIKey of N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine?
The InChIKey is BCJVSEKOSVSYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-11-3-5-13(6-4-11)18-8-7-17-10-12(9-14-2)15-16-17/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine?
N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62450708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).