N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

C15H18F3N3 — CID 74238312

IUPACN-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCc1nccn1CCN(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3/c1-12-19-6-7-21(12)9-8-20(2)11-13-4-3-5-14(10-13)15(16,17)18/h3-7,10H,8-9,11H2,1-2H3
InChIKeyMLIZAUQGTMPKGT-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.34
Rot. Bonds5

About N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 74238312) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID74238312
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCc1nccn1CCN(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3/c1-12-19-6-7-21(12)9-8-20(2)11-13-4-3-5-14(10-13)15(16,17)18/h3-7,10H,8-9,11H2,1-2H3
InChIKeyMLIZAUQGTMPKGT-UHFFFAOYSA-N
XLogP3.34
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 74244860
N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
CID 56714212
N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133398196
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole
CID 155942479
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 112844022
N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
CID 131900895
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
CID 61493400
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819855

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 74238312) is N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is Cc1nccn1CCN(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is MLIZAUQGTMPKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-12-19-6-7-21(12)9-8-20(2)11-13-4-3-5-14(10-13)15(16,17)18/h3-7,10H,8-9,11H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 297.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 74238312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).