1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine

C16H15ClF3NO — CID 155146091

IUPAC1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C16H15ClF3NO/c1-21-9-11-3-2-4-12(7-11)10-22-15-6-5-13(8-14(15)17)16(18,19)20/h2-8,21H,9-10H2,1H3
InChIKeyVKTNDEXVUDBHFL-UHFFFAOYSA-N
MW329.75 g/mol
LogP4.66
Rot. Bonds5

About 1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine

1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine (PubChem CID 155146091) has the molecular formula C16H15ClF3NO and a molecular weight of 329.75 g/mol. Its IUPAC name is 1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine
PubChem CID155146091
Molecular FormulaC16H15ClF3NO
Molecular Weight329.75 g/mol
Exact Mass329.08
IUPAC Name1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C16H15ClF3NO/c1-21-9-11-3-2-4-12(7-11)10-22-15-6-5-13(8-14(15)17)16(18,19)20/h2-8,21H,9-10H2,1H3
InChIKeyVKTNDEXVUDBHFL-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine 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 1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine (CID 155146091) is 1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine is CNCc1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine?
The InChIKey is VKTNDEXVUDBHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO/c1-21-9-11-3-2-4-12(7-11)10-22-15-6-5-13(8-14(15)17)16(18,19)20/h2-8,21H,9-10H2,1H3.
What are the key properties of 1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine?
1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine has a molecular weight of 329.75 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 155146091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).