1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine

C13H13F4N3 — CID 119110043

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCn1cncc1CNCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C13H13F4N3/c1-20-8-19-7-11(20)6-18-5-9-2-3-10(14)4-12(9)13(15,16)17/h2-4,7-8,18H,5-6H2,1H3
InChIKeyWAEJWMJIFFFNSP-UHFFFAOYSA-N
MW287.26 g/mol
LogP2.87
Rot. Bonds4

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine

1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine (PubChem CID 119110043) has the molecular formula C13H13F4N3 and a molecular weight of 287.26 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
PubChem CID119110043
Molecular FormulaC13H13F4N3
Molecular Weight287.26 g/mol
Exact Mass287.10
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCn1cncc1CNCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C13H13F4N3/c1-20-8-19-7-11(20)6-18-5-9-2-3-10(14)4-12(9)13(15,16)17/h2-4,7-8,18H,5-6H2,1H3
InChIKeyWAEJWMJIFFFNSP-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63379414
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78921126
N-[(3-methylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62998807
N-[(2-fluorophenyl)methyl]-1-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 112731308
4-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)aniline
CID 66117500
5-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]-1-methylimidazole
CID 170111917
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 78927299
N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 66119312
3,3,3-trifluoro-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 66116451
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 78921852
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 78921086
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 78921861

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine (CID 119110043) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine is Cn1cncc1CNCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The InChIKey is WAEJWMJIFFFNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4N3/c1-20-8-19-7-11(20)6-18-5-9-2-3-10(14)4-12(9)13(15,16)17/h2-4,7-8,18H,5-6H2,1H3.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine has a molecular weight of 287.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 119110043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).