2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine

C14H16F3N3O — CID 63954276

IUPAC2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C14H16F3N3O/c1-21-7-6-18-9-13-19-8-12(20-13)10-2-4-11(5-3-10)14(15,16)17/h2-5,8,18H,6-7,9H2,1H3,(H,19,20)
InChIKeyUVVIQVPVBJGKCH-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.83
Rot. Bonds6

About 2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine

2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine (PubChem CID 63954276) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine
PubChem CID63954276
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C14H16F3N3O/c1-21-7-6-18-9-13-19-8-12(20-13)10-2-4-11(5-3-10)14(15,16)17/h2-5,8,18H,6-7,9H2,1H3,(H,19,20)
InChIKeyUVVIQVPVBJGKCH-UHFFFAOYSA-N
XLogP2.83
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
CID 63956925
2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine
CID 63954680
5-[4-(trifluoromethyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazole
CID 18755583
cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 169111641
1-(2-methoxyethyl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 110942436
N-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine
CID 169322272
4-methoxy-N-propyl-N-[[5-[4-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide
CID 143630244
2-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111420412
N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 83038922
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 123743795
N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane
CID 143848512

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine (CID 63954276) is 2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine is COCCNCc1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine?
The InChIKey is UVVIQVPVBJGKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-21-7-6-18-9-13-19-8-12(20-13)10-2-4-11(5-3-10)14(15,16)17/h2-5,8,18H,6-7,9H2,1H3,(H,19,20).
What are the key properties of 2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine has a molecular weight of 299.30 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 63954276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).