2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine

C15H14F3NO — CID 58611161

IUPAC2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine
SMILESCOC(N)(c1ccccc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H14F3NO/c1-20-14(19,15(16,17)18)13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,19H2,1H3
InChIKeyYUEXCYAQTJDGCM-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.67
Rot. Bonds3

About 2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine

2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine (PubChem CID 58611161) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine
PubChem CID58611161
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine
SMILESCOC(N)(c1ccccc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H14F3NO/c1-20-14(19,15(16,17)18)13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,19H2,1H3
InChIKeyYUEXCYAQTJDGCM-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)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-(3,5-Bis-trifluoromethyl-benzyloxy)-1-methyl-1-phenyl-ethylamine
CID 44326281
2,2,2-Trifluoro-1-methoxy-1-phenylethanamine
CID 12164756
alpha-(Trifluoromethyl)-alpha-methoxynaphthalene-2-methanamine
CID 58611148
1-phenyl-3H-2-benzofuran-1-amine
CID 14064960
Methoxy-aminotetralin
CID 69381089
2-[[2,3-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine
CID 19968646
Phenyl(trifluoromethoxy)methanamine
CID 21953518
1-Phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
CID 22360936
1-Phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 57100097
1-Amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 57220877
alpha-(Trifluoromethyl)-alpha-methoxyphenanthrene-9-methanamine
CID 58611151
[4-Fluoro-2-(methoxymethyl)phenyl]methanamine
CID 59600591

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine (CID 58611161) is 2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine is COC(N)(c1ccccc1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine?
The InChIKey is YUEXCYAQTJDGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-20-14(19,15(16,17)18)13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,19H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine?
2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine has a molecular weight of 281.28 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine is sourced from PubChem (CID 58611161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).