N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline

C16H16F3NO — CID 91523939

IUPACN-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline
SMILESCN(CCc1ccccc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-20(12-11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)21-16(17,18)19/h2-10H,11-12H2,1H3
InChIKeyUXIMFIVGZZASLM-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.26
Rot. Bonds5

About N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline

N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline (PubChem CID 91523939) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline
PubChem CID91523939
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline
SMILESCN(CCc1ccccc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-20(12-11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)21-16(17,18)19/h2-10H,11-12H2,1H3
InChIKeyUXIMFIVGZZASLM-UHFFFAOYSA-N
XLogP4.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline 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

1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
4-[methyl(2-phenylethyl)amino]benzaldehyde
CID 65487426
4-[methyl(2-phenylethyl)amino]benzenecarbothioamide
CID 62971229
trifluoromethoxybenzene
CID 157402708
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52569662
ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate
CID 59859894
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
trifluoromethoxybenzene fluoride
CID 158305019
N-(2-methylpropyl)-N-(2-phenylethyl)-4-[4-(trifluoromethoxy)phenyl]triazole-1-carboxamide
CID 53364517
1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 62608696
5-N-methyl-5-N-(2-phenylethyl)pyridine-2,5-diamine
CID 65482934

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline?
The IUPAC name of N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline (CID 91523939) is N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline is CN(CCc1ccccc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline?
The InChIKey is UXIMFIVGZZASLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-20(12-11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)21-16(17,18)19/h2-10H,11-12H2,1H3.
What are the key properties of N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline?
N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline has a molecular weight of 295.30 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 91523939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).