[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride

C15H15ClF3NO — CID 166607365

IUPAC[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride
SMILES[Cl-].[NH3+]Cc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NO.ClH/c16-15(17,18)13-5-1-12(2-6-13)10-20-14-7-3-11(9-19)4-8-14;/h1-8H,9-10,19H2;1H
InChIKeyOQPRLHHTEJYUSU-UHFFFAOYSA-N
MW317.74 g/mol
LogP0.03
Rot. Bonds4

About [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride

[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride (PubChem CID 166607365) has the molecular formula C15H15ClF3NO and a molecular weight of 317.74 g/mol. Its IUPAC name is [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride.

Molecular Properties

Compound Name[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride
PubChem CID166607365
Molecular FormulaC15H15ClF3NO
Molecular Weight317.74 g/mol
Exact Mass317.08
IUPAC Name[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride
SMILES[Cl-].[NH3+]Cc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NO.ClH/c16-15(17,18)13-5-1-12(2-6-13)10-20-14-7-3-11(9-19)4-8-14;/h1-8H,9-10,19H2;1H
InChIKeyOQPRLHHTEJYUSU-UHFFFAOYSA-N
XLogP0.03
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride 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-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride?
The IUPAC name of [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride (CID 166607365) is [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride.
What is the SMILES notation for [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride?
The canonical SMILES for [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride is [Cl-].[NH3+]Cc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride?
The InChIKey is OQPRLHHTEJYUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO.ClH/c16-15(17,18)13-5-1-12(2-6-13)10-20-14-7-3-11(9-19)4-8-14;/h1-8H,9-10,19H2;1H.
What are the key properties of [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride?
[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride has a molecular weight of 317.74 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylazanium chloride is sourced from PubChem (CID 166607365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).