1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine

C12H14FN3 — CID 46784765

IUPAC1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2cccc(F)c2)[nH]1
InChIInChI=1S/C12H14FN3/c1-9-6-15-12(16-9)8-14-7-10-3-2-4-11(13)5-10/h2-6,14H,7-8H2,1H3,(H,15,16)
InChIKeyDRUXNXJZWJXMRM-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.15
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine

1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine (PubChem CID 46784765) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
PubChem CID46784765
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2cccc(F)c2)[nH]1
InChIInChI=1S/C12H14FN3/c1-9-6-15-12(16-9)8-14-7-10-3-2-4-11(13)5-10/h2-6,14H,7-8H2,1H3,(H,15,16)
InChIKeyDRUXNXJZWJXMRM-UHFFFAOYSA-N
XLogP2.15
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-phenylmethanamine
CID 46784169
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 55122035
N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55178056
1-(3-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43432996
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
N-[(3-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64547939
1-[(3-fluorophenyl)methyl]-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111877888
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)methanamine;hydrochloride
CID 126964694
N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 60977027
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 64540988
N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757618
5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole
CID 63108845

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine (CID 46784765) is 1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine is Cc1cnc(CNCc2cccc(F)c2)[nH]1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?
The InChIKey is DRUXNXJZWJXMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9-6-15-12(16-9)8-14-7-10-3-2-4-11(13)5-10/h2-6,14H,7-8H2,1H3,(H,15,16).
What are the key properties of 1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?
1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine has a molecular weight of 219.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 46784765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).