1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine

C12H14FN3 — CID 82902135

IUPAC1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
SMILESCNC(c1ccccc1F)c1cncn1C
InChIInChI=1S/C12H14FN3/c1-14-12(11-7-15-8-16(11)2)9-5-3-4-6-10(9)13/h3-8,12,14H,1-2H3
InChIKeyGCZBWEPPPSBGLM-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.87
Rot. Bonds3

About 1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine

1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine (PubChem CID 82902135) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
PubChem CID82902135
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
SMILESCNC(c1ccccc1F)c1cncn1C
InChIInChI=1S/C12H14FN3/c1-14-12(11-7-15-8-16(11)2)9-5-3-4-6-10(9)13/h3-8,12,14H,1-2H3
InChIKeyGCZBWEPPPSBGLM-UHFFFAOYSA-N
XLogP1.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82903595
1-isoquinolin-5-yl-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82901693
1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 114604500
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82902455
N-methyl-1-(3-methylimidazol-4-yl)-1-quinolin-8-ylmethanamine
CID 82903444
N-methyl-1-(3-methylimidazol-4-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 82901718
1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115827734
[(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264680
1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 63976399
1-(3,5-dimethylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82902598
1-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 63084391
1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486021

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine (CID 82902135) is 1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine is CNC(c1ccccc1F)c1cncn1C.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
The InChIKey is GCZBWEPPPSBGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-14-12(11-7-15-8-16(11)2)9-5-3-4-6-10(9)13/h3-8,12,14H,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine has a molecular weight of 219.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 82902135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).