N-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline

C10H11F3N2 — CID 162582747

IUPACN-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline
SMILESC=NN(CC)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2/c1-3-15(14-2)9-7-5-4-6-8(9)10(11,12)13/h4-7H,2-3H2,1H3
InChIKeyBMAQXGKIKHUYCZ-UHFFFAOYSA-N
MW216.21 g/mol
LogP3.15
Rot. Bonds3

About N-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline

N-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline (PubChem CID 162582747) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is N-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline
PubChem CID162582747
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC NameN-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline
SMILESC=NN(CC)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2/c1-3-15(14-2)9-7-5-4-6-8(9)10(11,12)13/h4-7H,2-3H2,1H3
InChIKeyBMAQXGKIKHUYCZ-UHFFFAOYSA-N
XLogP3.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline?
The IUPAC name of N-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline (CID 162582747) is N-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline is C=NN(CC)c1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline?
The InChIKey is BMAQXGKIKHUYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-3-15(14-2)9-7-5-4-6-8(9)10(11,12)13/h4-7H,2-3H2,1H3.
What are the key properties of N-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline?
N-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline has a molecular weight of 216.21 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(methylideneamino)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 162582747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).