[2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine

C12H14FN3 — CID 107878722

IUPAC[2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine
SMILESCc1nccn1Cc1ccc(F)c(CN)c1
InChIInChI=1S/C12H14FN3/c1-9-15-4-5-16(9)8-10-2-3-12(13)11(6-10)7-14/h2-6H,7-8,14H2,1H3
InChIKeyVSTZROQIPKFEBE-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.84
Rot. Bonds3

About [2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine

[2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine (PubChem CID 107878722) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is [2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine
PubChem CID107878722
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name[2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine
SMILESCc1nccn1Cc1ccc(F)c(CN)c1
InChIInChI=1S/C12H14FN3/c1-9-15-4-5-16(9)8-10-2-3-12(13)11(6-10)7-14/h2-6H,7-8,14H2,1H3
InChIKeyVSTZROQIPKFEBE-UHFFFAOYSA-N
XLogP1.84
TPSA43.84 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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(aminomethyl)-4-fluorophenyl]methyl]-6-methylpyrimidin-4-one
CID 114012012
[2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine
CID 107878759
4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide
CID 63811780
2-bromo-5-[(2-methylimidazol-1-yl)methyl]aniline
CID 115557276
2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine
CID 10106373
disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate
CID 139198488
1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazole
CID 45097499
5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 107878865
[1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine
CID 114195967
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
1-benzyl-2-methylimidazole
CID 158634472

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine (CID 107878722) is [2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine is Cc1nccn1Cc1ccc(F)c(CN)c1.
What is the InChIKey of [2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine?
The InChIKey is VSTZROQIPKFEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9-15-4-5-16(9)8-10-2-3-12(13)11(6-10)7-14/h2-6H,7-8,14H2,1H3.
What are the key properties of [2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine?
[2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine has a molecular weight of 219.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 107878722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).