4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline

C12H15N3O — CID 43134621

IUPAC4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline
SMILESCOc1ccc(N)cc1Cn1ccnc1C
InChIInChI=1S/C12H15N3O/c1-9-14-5-6-15(9)8-10-7-11(13)3-4-12(10)16-2/h3-7H,8,13H2,1-2H3
InChIKeyQBAPIVHLRMJXFI-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.83
Rot. Bonds3

About 4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline

4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline (PubChem CID 43134621) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline
PubChem CID43134621
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline
SMILESCOc1ccc(N)cc1Cn1ccnc1C
InChIInChI=1S/C12H15N3O/c1-9-14-5-6-15(9)8-10-7-11(13)3-4-12(10)16-2/h3-7H,8,13H2,1-2H3
InChIKeyQBAPIVHLRMJXFI-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-3-[(2-methylimidazol-1-yl)methyl]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

3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyaniline
CID 61402513
[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 62018219
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203
3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride
CID 170866655
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786
[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221952
1-[(5-amino-2-methoxyphenyl)methyl]-3-propan-2-ylimidazol-2-one
CID 80579623
3-[(5-amino-2-methoxyphenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66308455
3-[(5-amino-2-methoxyphenyl)methyl]-5-bromo-6-methylpyrimidin-4-one
CID 66309802
4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline
CID 43341860
3-fluoro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961547
3-chloro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961449

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline?
The IUPAC name of 4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline (CID 43134621) is 4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline is COc1ccc(N)cc1Cn1ccnc1C.
What is the InChIKey of 4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline?
The InChIKey is QBAPIVHLRMJXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-14-5-6-15(9)8-10-7-11(13)3-4-12(10)16-2/h3-7H,8,13H2,1-2H3.
What are the key properties of 4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline?
4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline has a molecular weight of 217.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline is sourced from PubChem (CID 43134621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).