2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide

C14H20F3N3O — CID 106790768

IUPAC2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CC(F)(F)F)C(C)C)cc1OC
InChIInChI=1S/C14H20F3N3O/c1-9(2)20(8-14(15,16)17)7-10-4-5-11(13(18)19)12(6-10)21-3/h4-6,9H,7-8H2,1-3H3,(H3,18,19)
InChIKeyGCDIOOODHQWYMB-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.75
Rot. Bonds6

About 2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide

2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide (PubChem CID 106790768) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
PubChem CID106790768
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CC(F)(F)F)C(C)C)cc1OC
InChIInChI=1S/C14H20F3N3O/c1-9(2)20(8-14(15,16)17)7-10-4-5-11(13(18)19)12(6-10)21-3/h4-6,9H,7-8H2,1-3H3,(H3,18,19)
InChIKeyGCDIOOODHQWYMB-UHFFFAOYSA-N
XLogP2.75
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarbothioamide
CID 65339120
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790577
2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 106790881
2-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 106791383
2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzonitrile
CID 106788163
4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide
CID 106790869
4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790693
2-bromo-6-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82982114
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790755
4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106791374
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936
2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide
CID 106791408

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide (CID 106790768) is 2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(CC(F)(F)F)C(C)C)cc1OC.
What is the InChIKey of 2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is GCDIOOODHQWYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-9(2)20(8-14(15,16)17)7-10-4-5-11(13(18)19)12(6-10)21-3/h4-6,9H,7-8H2,1-3H3,(H3,18,19).
What are the key properties of 2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide?
2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 303.33 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 106790768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).