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

C14H16F3N3O — CID 71930586

IUPACN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCc1[nH]cnc1CN(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-10-12(19-9-18-10)8-20(2)7-11-5-3-4-6-13(11)21-14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,19)
InChIKeyVMVWOJDBMUBLON-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.25
Rot. Bonds5

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

N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 71930586) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID71930586
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCc1[nH]cnc1CN(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-10-12(19-9-18-10)8-20(2)7-11-5-3-4-6-13(11)21-14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,19)
InChIKeyVMVWOJDBMUBLON-UHFFFAOYSA-N
XLogP3.25
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 55543480
1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 112812859
1-methoxy-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propan-2-ol
CID 111118115
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 63297774
N-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine
CID 162221534
1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 50965177
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
3-bromo-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107335896
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 38258314
2-ethyl-7-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 24665116

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine (CID 71930586) is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine is Cc1[nH]cnc1CN(C)Cc1ccccc1OC(F)(F)F.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is VMVWOJDBMUBLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-10-12(19-9-18-10)8-20(2)7-11-5-3-4-6-13(11)21-14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine?
N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 299.30 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 71930586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).