N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine

C13H16FN3 — CID 106564867

IUPACN-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine
SMILESCCNc1nccn1C(C)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-3-15-13-16-8-9-17(13)10(2)11-4-6-12(14)7-5-11/h4-10H,3H2,1-2H3,(H,15,16)
InChIKeyQGSZJKBERQDXAG-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.06
Rot. Bonds4

About N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine

N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine (PubChem CID 106564867) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine
PubChem CID106564867
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine
SMILESCCNc1nccn1C(C)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-3-15-13-16-8-9-17(13)10(2)11-4-6-12(14)7-5-11/h4-10H,3H2,1-2H3,(H,15,16)
InChIKeyQGSZJKBERQDXAG-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
CID 106571727
1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine
CID 106566928
1-[1-(dimethylamino)propan-2-yl]-N-ethylimidazol-2-amine
CID 106578657
1-[1-(diethylamino)propan-2-yl]-N-ethylimidazol-2-amine
CID 106566350
N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106564834
N-ethyl-1-(1-methoxybutan-2-yl)imidazol-2-amine
CID 106574719
1-(2-bromo-4-fluorophenyl)-N-ethylimidazol-2-amine
CID 106560730
N-(1-methoxypropan-2-yl)-1-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106561999
3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
N-(3-ethoxypropyl)-1-(1-pyridin-3-ylethyl)imidazol-2-amine
CID 106561960
1-[1-(4-bromophenyl)ethyl]-N-cyclohexylimidazol-2-amine
CID 106566865
1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine
CID 106565810

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine?
The IUPAC name of N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine (CID 106564867) is N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine?
The canonical SMILES for N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine is CCNc1nccn1C(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine?
The InChIKey is QGSZJKBERQDXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-3-15-13-16-8-9-17(13)10(2)11-4-6-12(14)7-5-11/h4-10H,3H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine?
N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine has a molecular weight of 233.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106564867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).