4-[(1-butylimidazol-2-yl)methyl]aniline

C14H19N3 — CID 70226116

IUPAC4-[(1-butylimidazol-2-yl)methyl]aniline
SMILESCCCCn1ccnc1Cc1ccc(N)cc1
InChIInChI=1S/C14H19N3/c1-2-3-9-17-10-8-16-14(17)11-12-4-6-13(15)7-5-12/h4-8,10H,2-3,9,11,15H2,1H3
InChIKeyLLYNXSNROKQOCU-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.86
Rot. Bonds5

About 4-[(1-butylimidazol-2-yl)methyl]aniline

4-[(1-butylimidazol-2-yl)methyl]aniline (PubChem CID 70226116) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-[(1-butylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(1-butylimidazol-2-yl)methyl]aniline
PubChem CID70226116
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-[(1-butylimidazol-2-yl)methyl]aniline
SMILESCCCCn1ccnc1Cc1ccc(N)cc1
InChIInChI=1S/C14H19N3/c1-2-3-9-17-10-8-16-14(17)11-12-4-6-13(15)7-5-12/h4-8,10H,2-3,9,11,15H2,1H3
InChIKeyLLYNXSNROKQOCU-UHFFFAOYSA-N
XLogP2.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.86
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

4-[[1-(4-aminobutyl)imidazol-2-yl]methyl]aniline
CID 82558650
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557919
2-[2-[(4-aminophenyl)methyl]imidazol-1-yl]acetic acid
CID 82558589
1-butylimidazol-2-amine
CID 60860613
3-fluoro-4-[(1-propylimidazol-2-yl)methyl]aniline
CID 79737831
3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine
CID 82558553
4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558475
4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558654
3-methyl-5-[(1-propylimidazol-2-yl)methyl]pyridin-2-amine
CID 83170955
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1,2-di(pentadecyl)imidazole
CID 69388452
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493

Frequently Asked Questions

What is the IUPAC name of 4-[(1-butylimidazol-2-yl)methyl]aniline?
The IUPAC name of 4-[(1-butylimidazol-2-yl)methyl]aniline (CID 70226116) is 4-[(1-butylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-[(1-butylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 4-[(1-butylimidazol-2-yl)methyl]aniline is CCCCn1ccnc1Cc1ccc(N)cc1.
What is the InChIKey of 4-[(1-butylimidazol-2-yl)methyl]aniline?
The InChIKey is LLYNXSNROKQOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-3-9-17-10-8-16-14(17)11-12-4-6-13(15)7-5-12/h4-8,10H,2-3,9,11,15H2,1H3.
What are the key properties of 4-[(1-butylimidazol-2-yl)methyl]aniline?
4-[(1-butylimidazol-2-yl)methyl]aniline has a molecular weight of 229.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 70226116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).