2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine

C15H22N4O — CID 107041397

IUPAC2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCn1cc(COc2cccc(CNC(C)(C)C)c2)nn1
InChIInChI=1S/C15H22N4O/c1-15(2,3)16-9-12-6-5-7-14(8-12)20-11-13-10-19(4)18-17-13/h5-8,10,16H,9,11H2,1-4H3
InChIKeyGALVEYZJCJVEFG-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.28
Rot. Bonds5

About 2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine

2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 107041397) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID107041397
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCn1cc(COc2cccc(CNC(C)(C)C)c2)nn1
InChIInChI=1S/C15H22N4O/c1-15(2,3)16-9-12-6-5-7-14(8-12)20-11-13-10-19(4)18-17-13/h5-8,10,16H,9,11H2,1-4H3
InChIKeyGALVEYZJCJVEFG-UHFFFAOYSA-N
XLogP2.28
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[(3-methylphenoxy)methyl]triazole
CID 103866173
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773
2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline
CID 107040834
3-[3-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 107051745
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721454
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277
2-(3-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 103698589
N-[[3-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63056052
N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62450130
2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62446843

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine (CID 107041397) is 2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine is Cn1cc(COc2cccc(CNC(C)(C)C)c2)nn1.
What is the InChIKey of 2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is GALVEYZJCJVEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,3)16-9-12-6-5-7-14(8-12)20-11-13-10-19(4)18-17-13/h5-8,10,16H,9,11H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 274.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 107041397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).