ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline

C15H25N3O — CID 144841192

IUPACethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
SMILESCC.CC.COc1cc(N)ccc1-n1cnc(C)c1
InChIInChI=1S/C11H13N3O.2C2H6/c1-8-6-14(7-13-8)10-4-3-9(12)5-11(10)15-2;2*1-2/h3-7H,12H2,1-2H3;2*1-2H3
InChIKeyKQWKIKRZQQKTIM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.82
Rot. Bonds2

About ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline

ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline (PubChem CID 144841192) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline.

Molecular Properties

Compound Nameethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
PubChem CID144841192
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Nameethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
SMILESCC.CC.COc1cc(N)ccc1-n1cnc(C)c1
InChIInChI=1S/C11H13N3O.2C2H6/c1-8-6-14(7-13-8)10-4-3-9(12)5-11(10)15-2;2*1-2/h3-7H,12H2,1-2H3;2*1-2H3
InChIKeyKQWKIKRZQQKTIM-UHFFFAOYSA-N
XLogP3.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.82
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

4-(4-chloroimidazol-1-yl)-3-methoxyaniline
CID 58075757
3-methoxy-4-(4-methylimidazol-1-yl)aniline;1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 161433764
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
trifluoro-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boranuide
CID 140582920
3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
CID 59591064
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
CID 91094143
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 68521034
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline
CID 59577818
2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole
CID 66857127
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole
CID 67797926

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline?
The IUPAC name of ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline (CID 144841192) is ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline.
What is the SMILES notation for ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline?
The canonical SMILES for ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline is CC.CC.COc1cc(N)ccc1-n1cnc(C)c1.
What is the InChIKey of ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline?
The InChIKey is KQWKIKRZQQKTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.2C2H6/c1-8-6-14(7-13-8)10-4-3-9(12)5-11(10)15-2;2*1-2/h3-7H,12H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline?
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline has a molecular weight of 263.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline is sourced from PubChem (CID 144841192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).