4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline

C14H19N3 — CID 43519618

IUPAC4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline
SMILESCC(C)c1nccn1CCc1ccc(N)cc1
InChIInChI=1S/C14H19N3/c1-11(2)14-16-8-10-17(14)9-7-12-3-5-13(15)6-4-12/h3-6,8,10-11H,7,9,15H2,1-2H3
InChIKeyLFPJKAAHZHRRMJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.83
Rot. Bonds4

About 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline

4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline (PubChem CID 43519618) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline
PubChem CID43519618
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline
SMILESCC(C)c1nccn1CCc1ccc(N)cc1
InChIInChI=1S/C14H19N3/c1-11(2)14-16-8-10-17(14)9-7-12-3-5-13(15)6-4-12/h3-6,8,10-11H,7,9,15H2,1-2H3
InChIKeyLFPJKAAHZHRRMJ-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoroethyl)-2-propan-2-ylimidazole
CID 80694983
(2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
CID 28794327
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine
CID 62137892
1-butyl-2-propan-2-ylimidazole
CID 11506521
1-pent-3-ynyl-2-propan-2-ylimidazole
CID 104743992
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one
CID 82907885
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid
CID 63074432
1-(5-chloropentyl)-2-propan-2-ylimidazole
CID 43168520
N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide
CID 43825670
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 90561440

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline?
The IUPAC name of 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline (CID 43519618) is 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline.
What is the SMILES notation for 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline?
The canonical SMILES for 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline is CC(C)c1nccn1CCc1ccc(N)cc1.
What is the InChIKey of 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline?
The InChIKey is LFPJKAAHZHRRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)14-16-8-10-17(14)9-7-12-3-5-13(15)6-4-12/h3-6,8,10-11H,7,9,15H2,1-2H3.
What are the key properties of 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline?
4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline has a molecular weight of 229.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline is sourced from PubChem (CID 43519618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).