4-(1-butyl-4-methylimidazol-2-yl)aniline

C14H19N3 — CID 83971208

IUPAC4-(1-butyl-4-methylimidazol-2-yl)aniline
SMILESCCCCn1cc(C)nc1-c1ccc(N)cc1
InChIInChI=1S/C14H19N3/c1-3-4-9-17-10-11(2)16-14(17)12-5-7-13(15)8-6-12/h5-8,10H,3-4,9,15H2,1-2H3
InChIKeyFMLIUTBLBIQTPP-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.24
Rot. Bonds4

About 4-(1-butyl-4-methylimidazol-2-yl)aniline

4-(1-butyl-4-methylimidazol-2-yl)aniline (PubChem CID 83971208) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-(1-butyl-4-methylimidazol-2-yl)aniline.

Molecular Properties

Compound Name4-(1-butyl-4-methylimidazol-2-yl)aniline
PubChem CID83971208
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-(1-butyl-4-methylimidazol-2-yl)aniline
SMILESCCCCn1cc(C)nc1-c1ccc(N)cc1
InChIInChI=1S/C14H19N3/c1-3-4-9-17-10-11(2)16-14(17)12-5-7-13(15)8-6-12/h5-8,10H,3-4,9,15H2,1-2H3
InChIKeyFMLIUTBLBIQTPP-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-butyl-4-methylimidazol-2-yl)aniline?
The IUPAC name of 4-(1-butyl-4-methylimidazol-2-yl)aniline (CID 83971208) is 4-(1-butyl-4-methylimidazol-2-yl)aniline.
What is the SMILES notation for 4-(1-butyl-4-methylimidazol-2-yl)aniline?
The canonical SMILES for 4-(1-butyl-4-methylimidazol-2-yl)aniline is CCCCn1cc(C)nc1-c1ccc(N)cc1.
What is the InChIKey of 4-(1-butyl-4-methylimidazol-2-yl)aniline?
The InChIKey is FMLIUTBLBIQTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-4-9-17-10-11(2)16-14(17)12-5-7-13(15)8-6-12/h5-8,10H,3-4,9,15H2,1-2H3.
What are the key properties of 4-(1-butyl-4-methylimidazol-2-yl)aniline?
4-(1-butyl-4-methylimidazol-2-yl)aniline has a molecular weight of 229.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butyl-4-methylimidazol-2-yl)aniline is sourced from PubChem (CID 83971208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).