phenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine

C17H18F3NO — CID 163579366

IUPACphenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine
SMILESCC(Cc1cccc(C(F)(F)F)c1)OC(N)c1ccccc1
InChIInChI=1S/C17H18F3NO/c1-12(22-16(21)14-7-3-2-4-8-14)10-13-6-5-9-15(11-13)17(18,19)20/h2-9,11-12,16H,10,21H2,1H3
InChIKeyGGFBNFZFVATSRZ-UHFFFAOYSA-N
MW309.33 g/mol
LogP4.31
Rot. Bonds5

About phenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine

phenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine (PubChem CID 163579366) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is phenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine.

Molecular Properties

Compound Namephenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine
PubChem CID163579366
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Namephenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine
SMILESCC(Cc1cccc(C(F)(F)F)c1)OC(N)c1ccccc1
InChIInChI=1S/C17H18F3NO/c1-12(22-16(21)14-7-3-2-4-8-14)10-13-6-5-9-15(11-13)17(18,19)20/h2-9,11-12,16H,10,21H2,1H3
InChIKeyGGFBNFZFVATSRZ-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.31
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 phenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]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

(R)-3-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-3-phenylcyclobutanamine
CID 10216430
2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 19968650
(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 22859115
(S)-2-(3,5-Dimethyl-benzyloxy)-1-phenyl-ethylamine
CID 44308930
SK&F 39728-A
CID 38114
(4-((2,2,2-Trifluoroethoxy)methyl)phenyl)methanamine
CID 16227394
{3-[(Tert-butoxy)methyl]phenyl}methanamine
CID 28996105
2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-propylamine(Diastereomer A)
CID 10339539
(S)-2-(3-tert-Butyl-5-methyl-benzyloxy)-1-phenyl-ethylamine
CID 44326280
2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-methyl-1-phenyl-ethylamine
CID 44326281
2-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-1-phenyl-ethylamine
CID 44326362
Benzeneethanamine, beta-methoxy-N-(phenylmethyl)-3-(trifluoromethyl)-, hydrochloride
CID 118273

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine?
The IUPAC name of phenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine (CID 163579366) is phenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine.
What is the SMILES notation for phenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine?
The canonical SMILES for phenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine is CC(Cc1cccc(C(F)(F)F)c1)OC(N)c1ccccc1.
What is the InChIKey of phenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine?
The InChIKey is GGFBNFZFVATSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-12(22-16(21)14-7-3-2-4-8-14)10-13-6-5-9-15(11-13)17(18,19)20/h2-9,11-12,16H,10,21H2,1H3.
What are the key properties of phenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine?
phenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine has a molecular weight of 309.33 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yloxy]methanamine is sourced from PubChem (CID 163579366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).