1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine

C16H16F3NO — CID 57100097

IUPAC1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESCC(N)(OCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H16F3NO/c1-15(20,13-5-3-2-4-6-13)21-11-12-7-9-14(10-8-12)16(17,18)19/h2-10H,11,20H2,1H3
InChIKeyFDSNXBVIUAIJHC-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.05
Rot. Bonds4

About 1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine

1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine (PubChem CID 57100097) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine.

Molecular Properties

Compound Name1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
PubChem CID57100097
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESCC(N)(OCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H16F3NO/c1-15(20,13-5-3-2-4-6-13)21-11-12-7-9-14(10-8-12)16(17,18)19/h2-10H,11,20H2,1H3
InChIKeyFDSNXBVIUAIJHC-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-((2,2,2-Trifluoroethoxy)methyl)phenyl)methanamine
CID 16227394
2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-propylamine(Diastereomer A)
CID 10339539
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
2,2,2-Trifluoro-1-methoxy-1-phenylethanamine
CID 12164756
alpha-(Trifluoromethyl)-alpha-methoxynaphthalene-2-methanamine
CID 58611148
2-[4-(Methoxymethyl)phenyl]propan-2-amine
CID 117278172
N-[3,3,3-trifluoro-1-methoxy-1-(4-phenylphenyl)propyl]acetamide
CID 134838646
(4-((Benzyloxy)methyl)phenyl)methanamine
CID 16789339
(2S,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine
CID 10494926
(2S,4R,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine
CID 10638422
(2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine
CID 10709855

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The IUPAC name of 1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine (CID 57100097) is 1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine.
What is the SMILES notation for 1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The canonical SMILES for 1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine is CC(N)(OCc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The InChIKey is FDSNXBVIUAIJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-15(20,13-5-3-2-4-6-13)21-11-12-7-9-14(10-8-12)16(17,18)19/h2-10H,11,20H2,1H3.
What are the key properties of 1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine is sourced from PubChem (CID 57100097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).