N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine

C15H22N4O — CID 66207117

IUPACN-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1ccccc1-n1cc(CNCC(C)C)nn1
InChIInChI=1S/C15H22N4O/c1-12(2)8-16-9-14-10-19(18-17-14)15-7-5-4-6-13(15)11-20-3/h4-7,10,12,16H,8-9,11H2,1-3H3
InChIKeyOGBJAVYSDXBGLS-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.16
Rot. Bonds7

About N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66207117) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID66207117
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1ccccc1-n1cc(CNCC(C)C)nn1
InChIInChI=1S/C15H22N4O/c1-12(2)8-16-9-14-10-19(18-17-14)15-7-5-4-6-13(15)11-20-3/h4-7,10,12,16H,8-9,11H2,1-3H3
InChIKeyOGBJAVYSDXBGLS-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine
CID 66206716
N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62763334
N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 103481809
3-[1-[2-(methoxymethyl)phenyl]triazol-4-yl]propanoic acid
CID 107460491
2-methyl-N-[(1-quinolin-5-yltriazol-4-yl)methyl]propan-1-amine
CID 66207060
N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 66206254
N-[[1-(2,5-dichlorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66205876
N-[[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107627681
2-methoxy-N-[[1-(2-methylsulfanylphenyl)triazol-4-yl]methyl]ethanamine
CID 66205453
N-[[1-(4-bromo-2-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66206892
N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66191718
2-methyl-N-[[1-(3,4,5-trifluorophenyl)triazol-4-yl]methyl]propan-1-amine
CID 66205092

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (CID 66207117) is N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine is COCc1ccccc1-n1cc(CNCC(C)C)nn1.
What is the InChIKey of N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is OGBJAVYSDXBGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(2)8-16-9-14-10-19(18-17-14)15-7-5-4-6-13(15)11-20-3/h4-7,10,12,16H,8-9,11H2,1-3H3.
What are the key properties of N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66207117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).