2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide

C14H20F3N3O — CID 82939570

IUPAC2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1N(CCOC)C(C)C
InChIInChI=1S/C14H20F3N3O/c1-9(2)20(6-7-21-3)12-5-4-10(14(15,16)17)8-11(12)13(18)19/h4-5,8-9H,6-7H2,1-3H3,(H3,18,19)
InChIKeyCLFPSHVWKQWIII-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.85
Rot. Bonds6

About 2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide

2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 82939570) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID82939570
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1N(CCOC)C(C)C
InChIInChI=1S/C14H20F3N3O/c1-9(2)20(6-7-21-3)12-5-4-10(14(15,16)17)8-11(12)13(18)19/h4-5,8-9H,6-7H2,1-3H3,(H3,18,19)
InChIKeyCLFPSHVWKQWIII-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 43153708
2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43265029
2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide
CID 82950924
2-[2-methoxyethyl(pentan-3-yl)amino]-5-methylbenzenecarboximidamide
CID 107930430
5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 114892966
2-[2-methoxyethyl(propan-2-yl)amino]-6-methylpyridine-3-carboximidamide
CID 82951585
2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 55004124
2-(2-methoxypropylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 102698430
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
CID 82960995
2-[ethyl(1-methoxypropan-2-yl)amino]-5-(trifluoromethyl)benzoic acid
CID 62702861
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 63865694
2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 55180801

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide (CID 82939570) is 2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C(F)(F)F)ccc1N(CCOC)C(C)C.
What is the InChIKey of 2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is CLFPSHVWKQWIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-9(2)20(6-7-21-3)12-5-4-10(14(15,16)17)8-11(12)13(18)19/h4-5,8-9H,6-7H2,1-3H3,(H3,18,19).
What are the key properties of 2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 303.33 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 82939570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).