2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine

C15H13ClF3NO — CID 62790502

IUPAC2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H13ClF3NO/c16-11-7-5-10(6-8-11)9-13(20)12-3-1-2-4-14(12)21-15(17,18)19/h1-8,13H,9,20H2
InChIKeyWOFNZQSKMZADSB-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.48
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine

2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 62790502) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
PubChem CID62790502
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H13ClF3NO/c16-11-7-5-10(6-8-11)9-13(20)12-3-1-2-4-14(12)21-15(17,18)19/h1-8,13H,9,20H2
InChIKeyWOFNZQSKMZADSB-UHFFFAOYSA-N
XLogP4.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]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

(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 62790847
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424
2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62789714
(1S)-4,4,4-trifluoro-1-[2-(trifluoromethoxy)phenyl]butan-1-amine;hydrochloride
CID 171229687
1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene
CID 141398456
(3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile
CID 171260551
(1S,2R)-1-amino-3-phenyl-1-[2-(trifluoromethoxy)phenyl]propan-2-ol
CID 171269826
1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine
CID 61078331
(3S)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile;hydrochloride
CID 171260087
(2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 106691908
2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine
CID 65477894
1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine
CID 79592123

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine (CID 62790502) is 2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine is NC(Cc1ccc(Cl)cc1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is WOFNZQSKMZADSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-11-7-5-10(6-8-11)9-13(20)12-3-1-2-4-14(12)21-15(17,18)19/h1-8,13H,9,20H2.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine?
2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 315.72 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 62790502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).