2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine

C12H13F2N3 — CID 62408867

IUPAC2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine
SMILESNCCc1nccn1Cc1cccc(F)c1F
InChIInChI=1S/C12H13F2N3/c13-10-3-1-2-9(12(10)14)8-17-7-6-16-11(17)4-5-15/h1-3,6-7H,4-5,8,15H2
InChIKeyCODCDVAFVYOHMF-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.71
Rot. Bonds4

About 2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine

2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine (PubChem CID 62408867) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine
PubChem CID62408867
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine
SMILESNCCc1nccn1Cc1cccc(F)c1F
InChIInChI=1S/C12H13F2N3/c13-10-3-1-2-9(12(10)14)8-17-7-6-16-11(17)4-5-15/h1-3,6-7H,4-5,8,15H2
InChIKeyCODCDVAFVYOHMF-UHFFFAOYSA-N
XLogP1.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223730
2-[1-(2-fluoroethyl)imidazol-2-yl]ethanamine
CID 80694657
2-fluoro-3-[(2-propylimidazol-1-yl)methyl]benzonitrile
CID 113350342
2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 107886659
2-[1-[(2,4-dimethylphenyl)methyl]imidazol-2-yl]ethanamine
CID 82474178
2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine
CID 112651288
[2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 107113824
3-[[2-[(2,3,4-trifluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558402
N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 102856727
1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 115819194
1-[(2,3-difluorophenyl)methyl]pyrrole-2-carbothioamide
CID 114653749
2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine
CID 107052795

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine (CID 62408867) is 2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine is NCCc1nccn1Cc1cccc(F)c1F.
What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine?
The InChIKey is CODCDVAFVYOHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c13-10-3-1-2-9(12(10)14)8-17-7-6-16-11(17)4-5-15/h1-3,6-7H,4-5,8,15H2.
What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine?
2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine has a molecular weight of 237.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]ethanamine is sourced from PubChem (CID 62408867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).