2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(methylideneamino)ethanamine

C10H11F3N2O — CID 70876624

IUPAC2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(methylideneamino)ethanamine
SMILESC=NC(N)(c1cccc(OC)c1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-15-9(14,10(11,12)13)7-4-3-5-8(6-7)16-2/h3-6H,1,14H2,2H3
InChIKeyGRILMJSFPTURKH-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.07
Rot. Bonds3

About 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(methylideneamino)ethanamine

2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(methylideneamino)ethanamine (PubChem CID 70876624) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(methylideneamino)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(methylideneamino)ethanamine
PubChem CID70876624
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(methylideneamino)ethanamine
SMILESC=NC(N)(c1cccc(OC)c1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-15-9(14,10(11,12)13)7-4-3-5-8(6-7)16-2/h3-6H,1,14H2,2H3
InChIKeyGRILMJSFPTURKH-UHFFFAOYSA-N
XLogP2.07
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methoxyphenyl)-1-(methylideneamino)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(methylideneamino)ethanamine (CID 70876624) is 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(methylideneamino)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(methylideneamino)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(methylideneamino)ethanamine is C=NC(N)(c1cccc(OC)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(methylideneamino)ethanamine?
The InChIKey is GRILMJSFPTURKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-15-9(14,10(11,12)13)7-4-3-5-8(6-7)16-2/h3-6H,1,14H2,2H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(methylideneamino)ethanamine?
2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(methylideneamino)ethanamine has a molecular weight of 232.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methoxyphenyl)-1-(methylideneamino)ethanamine is sourced from PubChem (CID 70876624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).