2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine

C13H22N4O2 — CID 142175548

IUPAC2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine
SMILESCN1C=CNC1N.COc1cc(N)c(OC)cc1C
InChIInChI=1S/C9H13NO2.C4H9N3/c1-6-4-9(12-3)7(10)5-8(6)11-2;1-7-3-2-6-4(7)5/h4-5H,10H2,1-3H3;2-4,6H,5H2,1H3
InChIKeyUGNMLXVLLUYQCT-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.83
Rot. Bonds2

About 2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine

2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine (PubChem CID 142175548) has the molecular formula C13H22N4O2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine.

Molecular Properties

Compound Name2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine
PubChem CID142175548
Molecular FormulaC13H22N4O2
Molecular Weight266.35 g/mol
Exact Mass266.17
IUPAC Name2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine
SMILESCN1C=CNC1N.COc1cc(N)c(OC)cc1C
InChIInChI=1S/C9H13NO2.C4H9N3/c1-6-4-9(12-3)7(10)5-8(6)11-2;1-7-3-2-6-4(7)5/h4-5H,10H2,1-3H3;2-4,6H,5H2,1H3
InChIKeyUGNMLXVLLUYQCT-UHFFFAOYSA-N
XLogP0.83
TPSA85.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine?
The IUPAC name of 2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine (CID 142175548) is 2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine.
What is the SMILES notation for 2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine?
The canonical SMILES for 2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine is CN1C=CNC1N.COc1cc(N)c(OC)cc1C.
What is the InChIKey of 2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine?
The InChIKey is UGNMLXVLLUYQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.C4H9N3/c1-6-4-9(12-3)7(10)5-8(6)11-2;1-7-3-2-6-4(7)5/h4-5H,10H2,1-3H3;2-4,6H,5H2,1H3.
What are the key properties of 2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine?
2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine has a molecular weight of 266.35 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-4-methylaniline;3-methyl-1,2-dihydroimidazol-2-amine is sourced from PubChem (CID 142175548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).