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

C15H18F3N3 — CID 60595674

IUPAC3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCC(CNCc1cccc(C(F)(F)F)c1)Cn1ccnc1
InChIInChI=1S/C15H18F3N3/c1-12(10-21-6-5-19-11-21)8-20-9-13-3-2-4-14(7-13)15(16,17)18/h2-7,11-12,20H,8-10H2,1H3
InChIKeyFJWOEAHWEAVJKM-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.33
Rot. Bonds6

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

3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 60595674) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID60595674
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCC(CNCc1cccc(C(F)(F)F)c1)Cn1ccnc1
InChIInChI=1S/C15H18F3N3/c1-12(10-21-6-5-19-11-21)8-20-9-13-3-2-4-14(7-13)15(16,17)18/h2-7,11-12,20H,8-10H2,1H3
InChIKeyFJWOEAHWEAVJKM-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-imidazol-1-yl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 60595640
4-chloro-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 66089921
3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115595871
N-[[4-(difluoromethoxy)phenyl]methyl]-3-imidazol-1-yl-2-methylpropan-1-amine
CID 60595639
3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 60595533
N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
CID 115595868
2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanenitrile
CID 43242659
3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 119125266
3-imidazol-1-yl-N-[(4-methoxy-3-nitrophenyl)methyl]-2-methylpropan-1-amine
CID 119124841
(2S)-N-[(6-fluoroquinolin-8-yl)methyl]-3-imidazol-1-yl-2-methylpropan-1-amine
CID 97226513
2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103643790
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60647921

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 60595674) is 3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine is CC(CNCc1cccc(C(F)(F)F)c1)Cn1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is FJWOEAHWEAVJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-12(10-21-6-5-19-11-21)8-20-9-13-3-2-4-14(7-13)15(16,17)18/h2-7,11-12,20H,8-10H2,1H3.
What are the key properties of 3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine?
3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 60595674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).