2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine

C13H14F3N3O — CID 103643790

IUPAC2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESFC(F)(F)Oc1cccc(CNCCn2ccnc2)c1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)20-12-3-1-2-11(8-12)9-17-4-6-19-7-5-18-10-19/h1-3,5,7-8,10,17H,4,6,9H2
InChIKeyZWTSUFHMZORRIM-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.57
Rot. Bonds6

About 2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine

2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 103643790) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID103643790
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESFC(F)(F)Oc1cccc(CNCCn2ccnc2)c1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)20-12-3-1-2-11(8-12)9-17-4-6-19-7-5-18-10-19/h1-3,5,7-8,10,17H,4,6,9H2
InChIKeyZWTSUFHMZORRIM-UHFFFAOYSA-N
XLogP2.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17155515
N-[(3-ethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155517
2-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60658022
3-imidazol-1-yl-N-[(3-pentoxyphenyl)methyl]propan-1-amine
CID 54848865
N-[(3-fluorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61070174
N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199
N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494562
3-imidazol-1-yl-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 54848934
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
3-imidazol-1-yl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17156523
N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 103643790) is 2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine is FC(F)(F)Oc1cccc(CNCCn2ccnc2)c1.
What is the InChIKey of 2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is ZWTSUFHMZORRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c14-13(15,16)20-12-3-1-2-11(8-12)9-17-4-6-19-7-5-18-10-19/h1-3,5,7-8,10,17H,4,6,9H2.
What are the key properties of 2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 285.27 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 103643790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).