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

C12H15N3O — CID 39201519

IUPAC4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline
SMILESCc1ccc(N)c(OCc2nccn2C)c1
InChIInChI=1S/C12H15N3O/c1-9-3-4-10(13)11(7-9)16-8-12-14-5-6-15(12)2/h3-7H,8,13H2,1-2H3
InChIKeySCXCIUFKOWCLFQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.89
Rot. Bonds3

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

4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline (PubChem CID 39201519) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline.

Molecular Properties

Compound Name4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline
PubChem CID39201519
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline
SMILESCc1ccc(N)c(OCc2nccn2C)c1
InChIInChI=1S/C12H15N3O/c1-9-3-4-10(13)11(7-9)16-8-12-14-5-6-15(12)2/h3-7H,8,13H2,1-2H3
InChIKeySCXCIUFKOWCLFQ-UHFFFAOYSA-N
XLogP1.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 63650710
3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline
CID 11459043
3-[(1-methylimidazol-2-yl)methoxy]aniline
CID 39201154
5-methyl-2-[2-(1-methylimidazol-2-yl)ethylsulfinyl]aniline
CID 114533054
2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63678191
2-(3-imidazol-1-ylpropoxy)-4-methylaniline
CID 54961228
[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880022
[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60878682
2-methyl-4-[(1-methylimidazol-2-yl)methoxy]quinolin-8-ol
CID 66760518
2-(fluoromethoxy)-4-methylaniline
CID 123529275
1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 106790241
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
CID 106861414

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline?
The IUPAC name of 4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline (CID 39201519) is 4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline.
What is the SMILES notation for 4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline?
The canonical SMILES for 4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline is Cc1ccc(N)c(OCc2nccn2C)c1.
What is the InChIKey of 4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline?
The InChIKey is SCXCIUFKOWCLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-3-4-10(13)11(7-9)16-8-12-14-5-6-15(12)2/h3-7H,8,13H2,1-2H3.
What are the key properties of 4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline?
4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline has a molecular weight of 217.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline is sourced from PubChem (CID 39201519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).