2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine

C15H18F3N3 — CID 102969413

IUPAC2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3/c1-10(2)14(19)13-7-20-9-21(13)8-11-4-3-5-12(6-11)15(16,17)18/h3-7,9-10,14H,8,19H2,1-2H3
InChIKeyCCWSXIGUNDZFNR-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.61
Rot. Bonds4

About 2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine

2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine (PubChem CID 102969413) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine
PubChem CID102969413
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3/c1-10(2)14(19)13-7-20-9-21(13)8-11-4-3-5-12(6-11)15(16,17)18/h3-7,9-10,14H,8,19H2,1-2H3
InChIKeyCCWSXIGUNDZFNR-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 104941659
1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969656
1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
CID 63095821
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol
CID 79107382
2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol
CID 114705699
(1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942333
(1R)-1-[3-[(3-nitrophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942893
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 114716457
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 60861273

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine (CID 102969413) is 2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine is CC(C)C(N)c1cncn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine?
The InChIKey is CCWSXIGUNDZFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-10(2)14(19)13-7-20-9-21(13)8-11-4-3-5-12(6-11)15(16,17)18/h3-7,9-10,14H,8,19H2,1-2H3.
What are the key properties of 2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine?
2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 102969413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).