N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine

C16H16F3NO — CID 66478855

IUPACN-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESCNCc1ccc(-c2ccc(OC(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C16H16F3NO/c1-11-9-12(10-20-2)3-8-15(11)13-4-6-14(7-5-13)21-16(17,18)19/h3-9,20H,10H2,1-2H3
InChIKeyZSESDSSWVJYPPU-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.28
Rot. Bonds4

About N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine

N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine (PubChem CID 66478855) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
PubChem CID66478855
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESCNCc1ccc(-c2ccc(OC(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C16H16F3NO/c1-11-9-12(10-20-2)3-8-15(11)13-4-6-14(7-5-13)21-16(17,18)19/h3-9,20H,10H2,1-2H3
InChIKeyZSESDSSWVJYPPU-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine 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-[4-(trifluoromethoxy)phenyl]-4-[9-[4-[4-(trifluoromethoxy)phenyl]phenyl]nonyl]benzene
CID 155259559
2-fluoro-4-[[3-fluoro-4-[3-methyl-4-(4-methylphenyl)phenyl]phenyl]methyl]-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 118260647
3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912465
N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine
CID 66481817
1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 142025209
N-methyl-1-(3-methyl-4-naphthalen-2-ylphenyl)methanamine
CID 66481024
N-methyl-1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
CID 141113146
2-fluoro-4-[9-[3-fluoro-4-[3-methyl-4-(4-methylphenyl)phenyl]phenyl]nonyl]-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 118260684
1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 79690685
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
N-methyl-1-[3-[4-(2-methylpropyl)phenyl]-4-(trifluoromethoxy)phenyl]methanamine
CID 172652228
1-[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481802

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine (CID 66478855) is N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine is CNCc1ccc(-c2ccc(OC(F)(F)F)cc2)c(C)c1.
What is the InChIKey of N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
The InChIKey is ZSESDSSWVJYPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11-9-12(10-20-2)3-8-15(11)13-4-6-14(7-5-13)21-16(17,18)19/h3-9,20H,10H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine has a molecular weight of 295.30 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine is sourced from PubChem (CID 66478855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).