(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine

C15H13F4NO — CID 146167633

IUPAC(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@](N)(c2ccc(F)cc2)C(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO/c1-21-13-8-4-11(5-9-13)14(20,15(17,18)19)10-2-6-12(16)7-3-10/h2-9H,20H2,1H3/t14-/m1/s1
InChIKeyNJXAGRKGMNAWTO-CQSZACIVSA-N
MW299.27 g/mol
LogP3.60
Rot. Bonds3

About (1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine

(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 146167633) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine
PubChem CID146167633
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@](N)(c2ccc(F)cc2)C(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO/c1-21-13-8-4-11(5-9-13)14(20,15(17,18)19)10-2-6-12(16)7-3-10/h2-9H,20H2,1H3/t14-/m1/s1
InChIKeyNJXAGRKGMNAWTO-CQSZACIVSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine 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 (1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine (CID 146167633) is (1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@](N)(c2ccc(F)cc2)C(F)(F)F)cc1.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is NJXAGRKGMNAWTO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-21-13-8-4-11(5-9-13)14(20,15(17,18)19)10-2-6-12(16)7-3-10/h2-9H,20H2,1H3/t14-/m1/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine?
(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 299.27 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 146167633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).