[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine

C12H14FN3 — CID 106717979

IUPAC[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine
SMILESCc1cc(F)ccc1Cn1cnc(CN)c1
InChIInChI=1S/C12H14FN3/c1-9-4-11(13)3-2-10(9)6-16-7-12(5-14)15-8-16/h2-4,7-8H,5-6,14H2,1H3
InChIKeyMBYDEFLMHUEGSE-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.84
Rot. Bonds3

About [1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine

[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine (PubChem CID 106717979) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is [1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine
PubChem CID106717979
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine
SMILESCc1cc(F)ccc1Cn1cnc(CN)c1
InChIInChI=1S/C12H14FN3/c1-9-4-11(13)3-2-10(9)6-16-7-12(5-14)15-8-16/h2-4,7-8H,5-6,14H2,1H3
InChIKeyMBYDEFLMHUEGSE-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

[1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol
CID 106717550
[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106865995
[1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine
CID 82282978
1-[(2,4-difluorophenyl)methyl]-4-methylimidazole
CID 130254978
1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole
CID 106720781
1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole
CID 113411916
[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
CID 114346645
2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine
CID 62136321
4-[[4-(chloromethyl)imidazol-1-yl]methyl]-3-methylbenzonitrile
CID 106720819
1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine
CID 114346672
N-[[1-[(2-chloro-5-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719617
(1-benzylimidazol-4-yl)methanamine
CID 82281097

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine (CID 106717979) is [1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine is Cc1cc(F)ccc1Cn1cnc(CN)c1.
What is the InChIKey of [1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine?
The InChIKey is MBYDEFLMHUEGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9-4-11(13)3-2-10(9)6-16-7-12(5-14)15-8-16/h2-4,7-8H,5-6,14H2,1H3.
What are the key properties of [1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine?
[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]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 [1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 106717979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).