[4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol

C16H21F3N2O — CID 123378071

IUPAC[4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol
SMILES[H]/N=C(\C)C(C)/C=C(\C)CNc1ccc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O/c1-10(6-11(2)12(3)20)8-21-14-5-4-13(9-22)15(7-14)16(17,18)19/h4-7,11,20-22H,8-9H2,1-3H3/b10-6+,20-12+
InChIKeyZGUUUWPXCQNTKY-UPINRHINSA-N
MW314.35 g/mol
LogP4.23
Rot. Bonds6

About [4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol

[4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol (PubChem CID 123378071) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is [4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol
PubChem CID123378071
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name[4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol
SMILES[H]/N=C(\C)C(C)/C=C(\C)CNc1ccc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O/c1-10(6-11(2)12(3)20)8-21-14-5-4-13(9-22)15(7-14)16(17,18)19/h4-7,11,20-22H,8-9H2,1-3H3/b10-6+,20-12+
InChIKeyZGUUUWPXCQNTKY-UPINRHINSA-N
XLogP4.23
TPSA56.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol (CID 123378071) is [4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol is [H]/N=C(\C)C(C)/C=C(\C)CNc1ccc(CO)c(C(F)(F)F)c1.
What is the InChIKey of [4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is ZGUUUWPXCQNTKY-UPINRHINSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-10(6-11(2)12(3)20)8-21-14-5-4-13(9-22)15(7-14)16(17,18)19/h4-7,11,20-22H,8-9H2,1-3H3/b10-6+,20-12+.
What are the key properties of [4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol?
[4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 314.35 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(E)-5-imino-2,4-dimethylhex-2-enyl]amino]-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 123378071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).