N-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline

C10H11F3N2 — CID 58636906

IUPACN-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline
SMILESC/C=N/N(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2/c1-3-14-15(2)9-6-4-8(5-7-9)10(11,12)13/h3-7H,1-2H3/b14-3+
InChIKeyWQEWSSNYBZMZRW-LZWSPWQCSA-N
MW216.21 g/mol
LogP3.15
Rot. Bonds2

About N-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline

N-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline (PubChem CID 58636906) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is N-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline
PubChem CID58636906
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC NameN-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline
SMILESC/C=N/N(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2/c1-3-14-15(2)9-6-4-8(5-7-9)10(11,12)13/h3-7H,1-2H3/b14-3+
InChIKeyWQEWSSNYBZMZRW-LZWSPWQCSA-N
XLogP3.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline (CID 58636906) is N-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline is C/C=N/N(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline?
The InChIKey is WQEWSSNYBZMZRW-LZWSPWQCSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-3-14-15(2)9-6-4-8(5-7-9)10(11,12)13/h3-7H,1-2H3/b14-3+.
What are the key properties of N-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline?
N-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline has a molecular weight of 216.21 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-ethylideneamino]-N-methyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 58636906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).