2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline

C15H14F3NO — CID 138756992

IUPAC2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline
SMILESCOCc1ccccc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO/c1-20-10-11-6-2-4-8-13(11)19-14-9-5-3-7-12(14)15(16,17)18/h2-9,19H,10H2,1H3
InChIKeyOHKOSMYLKBACGQ-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.60
Rot. Bonds4

About 2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline

2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline (PubChem CID 138756992) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline
PubChem CID138756992
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline
SMILESCOCc1ccccc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO/c1-20-10-11-6-2-4-8-13(11)19-14-9-5-3-7-12(14)15(16,17)18/h2-9,19H,10H2,1H3
InChIKeyOHKOSMYLKBACGQ-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline 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 2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline (CID 138756992) is 2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline is COCc1ccccc1Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline?
The InChIKey is OHKOSMYLKBACGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-20-10-11-6-2-4-8-13(11)19-14-9-5-3-7-12(14)15(16,17)18/h2-9,19H,10H2,1H3.
What are the key properties of 2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline?
2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline has a molecular weight of 281.28 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[2-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 138756992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).