1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine

C14H15F4N3 — CID 74231480

IUPAC1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
SMILESCc1cnc(CN(C)Cc2ccc(C(F)(F)F)cc2F)[nH]1
InChIInChI=1S/C14H15F4N3/c1-9-6-19-13(20-9)8-21(2)7-10-3-4-11(5-12(10)15)14(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,20)
InChIKeyPWNNQSLPVVYHCP-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.51
Rot. Bonds4

About 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine

1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine (PubChem CID 74231480) has the molecular formula C14H15F4N3 and a molecular weight of 301.29 g/mol. Its IUPAC name is 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
PubChem CID74231480
Molecular FormulaC14H15F4N3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC Name1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
SMILESCc1cnc(CN(C)Cc2ccc(C(F)(F)F)cc2F)[nH]1
InChIInChI=1S/C14H15F4N3/c1-9-6-19-13(20-9)8-21(2)7-10-3-4-11(5-12(10)15)14(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,20)
InChIKeyPWNNQSLPVVYHCP-UHFFFAOYSA-N
XLogP3.51
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine (CID 74231480) is 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine is Cc1cnc(CN(C)Cc2ccc(C(F)(F)F)cc2F)[nH]1.
What is the InChIKey of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?
The InChIKey is PWNNQSLPVVYHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4N3/c1-9-6-19-13(20-9)8-21(2)7-10-3-4-11(5-12(10)15)14(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine?
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine has a molecular weight of 301.29 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 74231480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).