1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine

C13H16FN3 — CID 114265923

IUPAC1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
SMILESCc1nc(C(C)N)cn1Cc1ccccc1F
InChIInChI=1S/C13H16FN3/c1-9(15)13-8-17(10(2)16-13)7-11-5-3-4-6-12(11)14/h3-6,8-9H,7,15H2,1-2H3
InChIKeySIHUIRAEJYGQJQ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.40
Rot. Bonds3

About 1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine

1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine (PubChem CID 114265923) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
PubChem CID114265923
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
SMILESCc1nc(C(C)N)cn1Cc1ccccc1F
InChIInChI=1S/C13H16FN3/c1-9(15)13-8-17(10(2)16-13)7-11-5-3-4-6-12(11)14/h3-6,8-9H,7,15H2,1-2H3
InChIKeySIHUIRAEJYGQJQ-UHFFFAOYSA-N
XLogP2.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 114265955
1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine
CID 114420088
(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 94575350
2-[4-[(1S)-1-aminoethyl]-2-methylimidazol-1-yl]acetonitrile
CID 130502394
1-[(2-fluorophenyl)methyl]-N,4-dimethylimidazol-2-amine
CID 106559102
1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82333524
(1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine
CID 114266059
(1S)-1-(1,2-diethylimidazol-4-yl)ethanamine
CID 130502437
2-[1-[(2-fluorophenyl)methyl]-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81336596
4-[1-[(2-fluorophenyl)methyl]-4-formylimidazol-2-yl]benzenesulfinamide
CID 143624204
(2S)-N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823609
1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104946

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine?
The IUPAC name of 1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine (CID 114265923) is 1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine is Cc1nc(C(C)N)cn1Cc1ccccc1F.
What is the InChIKey of 1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine?
The InChIKey is SIHUIRAEJYGQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9(15)13-8-17(10(2)16-13)7-11-5-3-4-6-12(11)14/h3-6,8-9H,7,15H2,1-2H3.
What are the key properties of 1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine?
1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine is sourced from PubChem (CID 114265923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).