4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline

C13H17N3O — CID 82513081

IUPAC4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline
SMILESCOc1ccc(N)cc1-n1cncc1C(C)C
InChIInChI=1S/C13H17N3O/c1-9(2)12-7-15-8-16(12)11-6-10(14)4-5-13(11)17-3/h4-9H,14H2,1-3H3
InChIKeyHESFEINOZYOXDH-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.59
Rot. Bonds3

About 4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline

4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline (PubChem CID 82513081) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline.

Molecular Properties

Compound Name4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline
PubChem CID82513081
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline
SMILESCOc1ccc(N)cc1-n1cncc1C(C)C
InChIInChI=1S/C13H17N3O/c1-9(2)12-7-15-8-16(12)11-6-10(14)4-5-13(11)17-3/h4-9H,14H2,1-3H3
InChIKeyHESFEINOZYOXDH-UHFFFAOYSA-N
XLogP2.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-(5-methylimidazol-1-yl)aniline
CID 59577843
4-methoxy-3-(1,2,4-triazol-1-yl)aniline
CID 82512225
1-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 114702940
3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline
CID 82512676
(1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine
CID 104942927
3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline
CID 79689324
(1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine
CID 104941610
1-(5-amino-2-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 82514238
2-[3-(3-chloro-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107443926
1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706294
4-chloro-3-(5-propan-2-ylimidazol-1-yl)benzoic acid
CID 82514343
4-methoxy-3-propan-2-yloxyaniline
CID 16785912

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline?
The IUPAC name of 4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline (CID 82513081) is 4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline.
What is the SMILES notation for 4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline?
The canonical SMILES for 4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline is COc1ccc(N)cc1-n1cncc1C(C)C.
What is the InChIKey of 4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline?
The InChIKey is HESFEINOZYOXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)12-7-15-8-16(12)11-6-10(14)4-5-13(11)17-3/h4-9H,14H2,1-3H3.
What are the key properties of 4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline?
4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline has a molecular weight of 231.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline is sourced from PubChem (CID 82513081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).