N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine

C11H14F3NO — CID 167530793

IUPACN-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC(F)(F)F)cc1C
InChIInChI=1S/C11H14F3NO/c1-3-15-7-9-4-5-10(6-8(9)2)16-11(12,13)14/h4-6,15H,3,7H2,1-2H3
InChIKeyFAWWFSNZFBXEBY-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.00
Rot. Bonds4

About N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine

N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 167530793) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID167530793
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC(F)(F)F)cc1C
InChIInChI=1S/C11H14F3NO/c1-3-15-7-9-4-5-10(6-8(9)2)16-11(12,13)14/h4-6,15H,3,7H2,1-2H3
InChIKeyFAWWFSNZFBXEBY-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-1-propyl-4-(trifluoromethoxy)benzene
CID 118269891
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 62130842
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221726
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
CID 82470206
N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 55221832
N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 63551836
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854
N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine
CID 62918232
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
N-[[4-(4-bromo-2-methylphenoxy)-2-methylphenyl]methyl]ethanamine
CID 63552221
[3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol
CID 62129324

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 167530793) is N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine is CCNCc1ccc(OC(F)(F)F)cc1C.
What is the InChIKey of N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is FAWWFSNZFBXEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-3-15-7-9-4-5-10(6-8(9)2)16-11(12,13)14/h4-6,15H,3,7H2,1-2H3.
What are the key properties of N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine?
N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 233.23 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 167530793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).