3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline

C13H17N3O — CID 82474930

IUPAC3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline
SMILESCc1nc(CCOc2cccc(N)c2)[nH]c1C
InChIInChI=1S/C13H17N3O/c1-9-10(2)16-13(15-9)6-7-17-12-5-3-4-11(14)8-12/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyKUCDHIMTZRJMRB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.23
Rot. Bonds4

About 3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline

3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline (PubChem CID 82474930) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline
PubChem CID82474930
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline
SMILESCc1nc(CCOc2cccc(N)c2)[nH]c1C
InChIInChI=1S/C13H17N3O/c1-9-10(2)16-13(15-9)6-7-17-12-5-3-4-11(14)8-12/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyKUCDHIMTZRJMRB-UHFFFAOYSA-N
XLogP2.23
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline
CID 82475291
3-[2-(1H-1,2,4-triazol-5-yl)ethoxy]aniline
CID 82469969
2-[2-(3-aminophenoxy)ethyl]-1H-pyrimidin-6-one
CID 82474779
2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione
CID 83241772
3-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 6502498
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
3-[2-(4-bromo-3-methylphenoxy)ethoxy]aniline
CID 83133247
2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 43236517
N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine
CID 83064262
N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine
CID 61031885
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline?
The IUPAC name of 3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline (CID 82474930) is 3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline.
What is the SMILES notation for 3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline?
The canonical SMILES for 3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline is Cc1nc(CCOc2cccc(N)c2)[nH]c1C.
What is the InChIKey of 3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline?
The InChIKey is KUCDHIMTZRJMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-10(2)16-13(15-9)6-7-17-12-5-3-4-11(14)8-12/h3-5,8H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline?
3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline has a molecular weight of 231.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethoxy]aniline is sourced from PubChem (CID 82474930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).