N-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine

C19H20F3NO2 — CID 57269955

IUPACN-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine
SMILESCC=C(NOCC)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO2/c1-3-18(23-25-4-2)15-7-11-17(12-8-15)24-13-14-5-9-16(10-6-14)19(20,21)22/h3,5-12,23H,4,13H2,1-2H3
InChIKeyVFEOVIZHJHSPQI-UHFFFAOYSA-N
MW351.37 g/mol
LogP5.19
Rot. Bonds7

About N-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine

N-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine (PubChem CID 57269955) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine.

Molecular Properties

Compound NameN-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine
PubChem CID57269955
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC NameN-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine
SMILESCC=C(NOCC)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO2/c1-3-18(23-25-4-2)15-7-11-17(12-8-15)24-13-14-5-9-16(10-6-14)19(20,21)22/h3,5-12,23H,4,13H2,1-2H3
InChIKeyVFEOVIZHJHSPQI-UHFFFAOYSA-N
XLogP5.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 11565589
Mao-B-IN-27
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CID 139449915
[4-[[3-(Trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride
CID 72736161
N'-methoxy-4-[[4-[(Z)-N'-methoxycarbamimidoyl]phenoxy]methyl]benzamidine
CID 72375511
4-[[4-(Trifluoromethyl)benzyl]oxy]benzylammonium Chloride
CID 166607365
N-[(4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 15648026
2-(4-Ethoxyphenyl)-6-(4-fluorophenyl)-3,5-dimethylpyrazine 1,4-dioxide
CID 2986250
2-(4-Fluorophenyl)-3,5-dimethyl-6-(4-propoxyphenyl)pyrazine 1,4-dioxide
CID 2989625
4-[(E)-2-(4-butoxyphenyl)ethenyl]-2,6-difluoroaniline
CID 18521115
N-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine
CID 19038469
N-[1-[4-[1-(4-fluorophenyl)ethoxy]phenyl]ethyl]hydroxylamine
CID 19828165

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine?
The IUPAC name of N-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine (CID 57269955) is N-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine.
What is the SMILES notation for N-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine?
The canonical SMILES for N-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine is CC=C(NOCC)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine?
The InChIKey is VFEOVIZHJHSPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-3-18(23-25-4-2)15-7-11-17(12-8-15)24-13-14-5-9-16(10-6-14)19(20,21)22/h3,5-12,23H,4,13H2,1-2H3.
What are the key properties of N-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine?
N-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine has a molecular weight of 351.37 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine is sourced from PubChem (CID 57269955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).