4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine

C12H16FN3 — CID 19889690

IUPAC4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)C2=NCCN2)c1C
InChIInChI=1S/C12H16FN3/c1-7-3-4-9(13)10(8(7)2)11(14)12-15-5-6-16-12/h3-4,11H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyIAHBNODLNWSGOI-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.44
Rot. Bonds2

About 4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine

4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine (PubChem CID 19889690) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine
PubChem CID19889690
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)C2=NCCN2)c1C
InChIInChI=1S/C12H16FN3/c1-7-3-4-9(13)10(8(7)2)11(14)12-15-5-6-16-12/h3-4,11H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyIAHBNODLNWSGOI-UHFFFAOYSA-N
XLogP1.44
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 5709
CID 5709
CID 5419
CID 5419
CID 10648
CID 10648
CID 5282386
CID 5282386
CID 121850
CID 121850
CID 14634
CID 14634
CID 3746427
CID 3746427
CID 55718
CID 55718
CID 3033727
CID 3033727
CID 24782016
CID 24782016
CID 70319
CID 70319
CID 3016908
CID 3016908

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine?
The IUPAC name of 4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine (CID 19889690) is 4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine?
The canonical SMILES for 4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine is Cc1ccc(F)c(C(N)C2=NCCN2)c1C.
What is the InChIKey of 4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine?
The InChIKey is IAHBNODLNWSGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-7-3-4-9(13)10(8(7)2)11(14)12-15-5-6-16-12/h3-4,11H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine?
4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine has a molecular weight of 221.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-2-yl-(6-fluoro-2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 19889690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).