2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine

C7H12FN3 — CID 80694657

IUPAC2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine
SMILESNCCc1nccn1CCF
InChIInChI=1S/C7H12FN3/c8-2-5-11-6-4-10-7(11)1-3-9/h4,6H,1-3,5,9H2
InChIKeyRRGUTHLOXVHQMX-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.35
Rot. Bonds4

About 2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine

2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine (PubChem CID 80694657) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine
PubChem CID80694657
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine
SMILESNCCc1nccn1CCF
InChIInChI=1S/C7H12FN3/c8-2-5-11-6-4-10-7(11)1-3-9/h4,6H,1-3,5,9H2
InChIKeyRRGUTHLOXVHQMX-UHFFFAOYSA-N
XLogP0.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methoxyethyl)imidazol-2-yl]ethanamine
CID 62410004
2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 62408867
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]ethanamine
CID 63773737
2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine
CID 107052795
2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine
CID 82558268
3-[2-[2-(dimethylamino)ethyl]imidazol-1-yl]propan-1-amine
CID 82557807
3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 57082680
2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 107886659
4-[[1-(4-aminobutyl)imidazol-2-yl]methyl]aniline
CID 82558650
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine
CID 112651288
2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine
CID 82474178

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine (CID 80694657) is 2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine is NCCc1nccn1CCF.
What is the InChIKey of 2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine?
The InChIKey is RRGUTHLOXVHQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3/c8-2-5-11-6-4-10-7(11)1-3-9/h4,6H,1-3,5,9H2.
What are the key properties of 2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine?
2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine has a molecular weight of 157.19 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine is sourced from PubChem (CID 80694657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).