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

C14H18FN3 — CID 106571727

IUPACN-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
SMILESCCNc1nccn1C(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-3-16-14-17-8-9-18(14)11(2)10-12-4-6-13(15)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,16,17)
InChIKeyYMVHHNHBJNMKDQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.26
Rot. Bonds5

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

N-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine (PubChem CID 106571727) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
PubChem CID106571727
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
SMILESCCNc1nccn1C(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-3-16-14-17-8-9-18(14)11(2)10-12-4-6-13(15)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,16,17)
InChIKeyYMVHHNHBJNMKDQ-UHFFFAOYSA-N
XLogP3.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine
CID 106564867
N-(2-methylpropyl)-1-(1-phenylpropan-2-yl)imidazol-2-amine
CID 106571877
N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106571697
1-[1-(dimethylamino)propan-2-yl]-N-ethylimidazol-2-amine
CID 106578657
1-[1-(diethylamino)propan-2-yl]-N-ethylimidazol-2-amine
CID 106566350
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
CID 62995363
N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine
CID 106571701
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 79752901
1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine
CID 106566928
N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine
CID 106555846
1-(1-methoxypropan-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]imidazol-2-amine
CID 106571991
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106570194

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine?
The IUPAC name of N-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine (CID 106571727) is N-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine.
What is the SMILES notation for N-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine?
The canonical SMILES for N-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine is CCNc1nccn1C(C)Cc1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine?
The InChIKey is YMVHHNHBJNMKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-16-14-17-8-9-18(14)11(2)10-12-4-6-13(15)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine?
N-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine has a molecular weight of 247.32 g/mol, XLogP of 3.26, 5 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)propan-2-yl]imidazol-2-amine is sourced from PubChem (CID 106571727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).