2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline

C11H14N4O — CID 107040834

IUPAC2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline
SMILESCc1cc(OCc2cn(C)nn2)ccc1N
InChIInChI=1S/C11H14N4O/c1-8-5-10(3-4-11(8)12)16-7-9-6-15(2)14-13-9/h3-6H,7,12H2,1-2H3
InChIKeyZZWIUTRZSVUCBG-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.28
Rot. Bonds3

About 2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline

2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline (PubChem CID 107040834) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline.

Molecular Properties

Compound Name2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline
PubChem CID107040834
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline
SMILESCc1cc(OCc2cn(C)nn2)ccc1N
InChIInChI=1S/C11H14N4O/c1-8-5-10(3-4-11(8)12)16-7-9-6-15(2)14-13-9/h3-6H,7,12H2,1-2H3
InChIKeyZZWIUTRZSVUCBG-UHFFFAOYSA-N
XLogP1.28
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[(3-methylphenoxy)methyl]triazole
CID 103866173
[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
CID 79267749
3-bromo-5-[(1-methyltriazol-4-yl)methoxy]pyridine
CID 107043116
2-methyl-N-[[3-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107041397
4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine
CID 138618306
2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine
CID 107041315
N-ethyl-1-[2-fluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanamine
CID 107717133
4-[(2-bromo-4-methylphenoxy)methyl]-1-methyltriazole
CID 103866242
4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole
CID 102975429
3-[3-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 107051745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline?
The IUPAC name of 2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline (CID 107040834) is 2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline.
What is the SMILES notation for 2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline?
The canonical SMILES for 2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline is Cc1cc(OCc2cn(C)nn2)ccc1N.
What is the InChIKey of 2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline?
The InChIKey is ZZWIUTRZSVUCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-5-10(3-4-11(8)12)16-7-9-6-15(2)14-13-9/h3-6H,7,12H2,1-2H3.
What are the key properties of 2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline?
2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline has a molecular weight of 218.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline is sourced from PubChem (CID 107040834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).