2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine

C16H15F4NO — CID 56693384

IUPAC2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESNCCOC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F4NO/c17-14-7-3-12(4-8-14)15(22-10-9-21)11-1-5-13(6-2-11)16(18,19)20/h1-8,15H,9-10,21H2
InChIKeyCRSBCQAXCXTIMJ-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.91
Rot. Bonds5

About 2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine

2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine (PubChem CID 56693384) has the molecular formula C16H15F4NO and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine
PubChem CID56693384
Molecular FormulaC16H15F4NO
Molecular Weight313.29 g/mol
Exact Mass313.11
IUPAC Name2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESNCCOC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F4NO/c17-14-7-3-12(4-8-14)15(22-10-9-21)11-1-5-13(6-2-11)16(18,19)20/h1-8,15H,9-10,21H2
InChIKeyCRSBCQAXCXTIMJ-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine
CID 21187771
4-[bis(4-fluorophenyl)methoxy]butan-1-amine
CID 71092027
1-[2-bromoethoxy-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene
CID 10048141
2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117244962
2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
CID 13354011
3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 117245008
2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 22261902
1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene
CID 122382363
(1S)-1-[4-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171218575
2-(4-fluorophenyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82789383
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
CID 4742801
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The IUPAC name of 2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine (CID 56693384) is 2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine.
What is the SMILES notation for 2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The canonical SMILES for 2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine is NCCOC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The InChIKey is CRSBCQAXCXTIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO/c17-14-7-3-12(4-8-14)15(22-10-9-21)11-1-5-13(6-2-11)16(18,19)20/h1-8,15H,9-10,21H2.
What are the key properties of 2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine has a molecular weight of 313.29 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine is sourced from PubChem (CID 56693384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).