3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine

C14H18F3NO — CID 43207347

IUPAC3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESC=COCCCNC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c1-3-19-10-4-9-18-11(2)12-5-7-13(8-6-12)14(15,16)17/h3,5-8,11,18H,1,4,9-10H2,2H3
InChIKeyFEYATGCANQLFNG-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.91
Rot. Bonds7

About 3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine

3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine (PubChem CID 43207347) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
PubChem CID43207347
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESC=COCCCNC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c1-3-19-10-4-9-18-11(2)12-5-7-13(8-6-12)14(15,16)17/h3,5-8,11,18H,1,4,9-10H2,2H3
InChIKeyFEYATGCANQLFNG-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Benzenemethanamine, N-ethyl-4-(trifluoromethyl)-
CID 485421
Methyl((1-(3-(trifluoromethyl)phenyl)ethyl))amine
CID 16771160
Methyl((1-(4-(trifluoromethyl)phenyl)ethyl))amine
CID 21251050
N-(1-phenylcyclohexyl)-3-ethoxypropanamine
CID 23584939
2-[4-[[1-[4-(Trifluoromethyl)phenyl]ethylamino]methyl]piperidin-1-yl]ethanol
CID 53571972
Benzenemethanamine, N-(1-methylethyl)-3-(trifluoromethyl)-
CID 485417
Benzenemethanamine, N-propyl-4-(trifluoromethyl)-
CID 485422
Benzenemethanamine, N-butyl-4-(trifluoromethyl)-
CID 485423
1-Propanol, 3-(alpha-methyl-m-trifluoromethylphenethylamino)-
CID 211154
2-[4-(Trifluoromethyl)phenyl]pyrrolidine
CID 3701153
N-(1-Methylethyl)-4-(trifluoromethyl)benzenemethanamine
CID 19826566
(2,4-Dimethylbenzyl)(2-methoxy-1-methylethyl)amine
CID 2850780

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of 3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine (CID 43207347) is 3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for 3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine is C=COCCCNC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is FEYATGCANQLFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-3-19-10-4-9-18-11(2)12-5-7-13(8-6-12)14(15,16)17/h3,5-8,11,18H,1,4,9-10H2,2H3.
What are the key properties of 3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 273.30 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43207347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).