N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine

C15H22N4O — CID 166263473

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCOCc1ccccc1CNC(C)c1ncnn1C
InChIInChI=1S/C15H22N4O/c1-4-20-10-14-8-6-5-7-13(14)9-16-12(2)15-17-11-18-19(15)3/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyMGLYKCARDZFGKZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.20
Rot. Bonds7

About N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine

N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 166263473) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID166263473
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCOCc1ccccc1CNC(C)c1ncnn1C
InChIInChI=1S/C15H22N4O/c1-4-20-10-14-8-6-5-7-13(14)9-16-12(2)15-17-11-18-19(15)3/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyMGLYKCARDZFGKZ-UHFFFAOYSA-N
XLogP2.20
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115878966
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine
CID 60924424
N-[(4-chloro-2-methoxyphenyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 146104284
N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 63448148
N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine
CID 62444314
4-bromo-5-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylpyridazin-3-one
CID 115624032
N-[3-[1-[[2-(ethoxymethyl)phenyl]methylamino]ethyl]phenyl]acetamide
CID 119164918
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115464510
1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 115885602
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(furan-2-yl)propan-2-amine
CID 63085668
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 45490077

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 166263473) is N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine is CCOCc1ccccc1CNC(C)c1ncnn1C.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is MGLYKCARDZFGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-20-10-14-8-6-5-7-13(14)9-16-12(2)15-17-11-18-19(15)3/h5-8,11-12,16H,4,9-10H2,1-3H3.
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 274.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 166263473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).