[3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine

C12H14FN3 — CID 102814423

IUPAC[3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine
SMILESCc1ncn(-c2cc(F)cc(CN)c2)c1C
InChIInChI=1S/C12H14FN3/c1-8-9(2)16(7-15-8)12-4-10(6-14)3-11(13)5-12/h3-5,7H,6,14H2,1-2H3
InChIKeyMQNVWMACVWCHFG-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.09
Rot. Bonds2

About [3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine

[3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine (PubChem CID 102814423) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is [3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine
PubChem CID102814423
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name[3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine
SMILESCc1ncn(-c2cc(F)cc(CN)c2)c1C
InChIInChI=1S/C12H14FN3/c1-8-9(2)16(7-15-8)12-4-10(6-14)3-11(13)5-12/h3-5,7H,6,14H2,1-2H3
InChIKeyMQNVWMACVWCHFG-UHFFFAOYSA-N
XLogP2.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine
CID 102814421
[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine
CID 62349826
[3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine
CID 102814406
(3-fluoro-5-pyrrolidin-1-ylphenyl)methanamine
CID 102813283
[3-fluoro-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 102813357
1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine
CID 63942141
1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63817111
[3-(4,5-dimethylimidazol-1-yl)pyrazin-2-yl]methanamine
CID 62673763
[3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]methanamine
CID 102814339
1-[4-[3-(aminomethyl)-5-fluorophenyl]piperazin-1-yl]ethanone
CID 102813334
[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine
CID 102814167
[3-(4,5-dimethylimidazol-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine
CID 55064685

Frequently Asked Questions

What is the IUPAC name of [3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine?
The IUPAC name of [3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine (CID 102814423) is [3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine?
The canonical SMILES for [3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine is Cc1ncn(-c2cc(F)cc(CN)c2)c1C.
What is the InChIKey of [3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine?
The InChIKey is MQNVWMACVWCHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-9(2)16(7-15-8)12-4-10(6-14)3-11(13)5-12/h3-5,7H,6,14H2,1-2H3.
What are the key properties of [3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine?
[3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine has a molecular weight of 219.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 102814423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).