2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine

C10H11F3N2 — CID 71217902

IUPAC2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine
SMILESC=NC(N)(c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C10H11F3N2/c1-7-3-5-8(6-4-7)9(14,15-2)10(11,12)13/h3-6H,2,14H2,1H3
InChIKeyBSVMOHVUSRAFRP-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.37
Rot. Bonds2

About 2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine

2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine (PubChem CID 71217902) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine
PubChem CID71217902
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine
SMILESC=NC(N)(c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C10H11F3N2/c1-7-3-5-8(6-4-7)9(14,15-2)10(11,12)13/h3-6H,2,14H2,1H3
InChIKeyBSVMOHVUSRAFRP-UHFFFAOYSA-N
XLogP2.37
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine (CID 71217902) is 2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine is C=NC(N)(c1ccc(C)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine?
The InChIKey is BSVMOHVUSRAFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-7-3-5-8(6-4-7)9(14,15-2)10(11,12)13/h3-6H,2,14H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine?
2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine has a molecular weight of 216.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(methylideneamino)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 71217902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).