N-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine

C20H20F3NO2 — CID 57046438

IUPACN-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine
SMILESC=CCONC(=CC)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H20F3NO2/c1-3-12-26-24-19(4-2)16-8-10-18(11-9-16)25-14-15-6-5-7-17(13-15)20(21,22)23/h3-11,13,24H,1,12,14H2,2H3
InChIKeyOSVVXGUATLNDAV-UHFFFAOYSA-N
MW363.38 g/mol
LogP5.35
Rot. Bonds8

About N-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine

N-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine (PubChem CID 57046438) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine.

Molecular Properties

Compound NameN-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine
PubChem CID57046438
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC NameN-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine
SMILESC=CCONC(=CC)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H20F3NO2/c1-3-12-26-24-19(4-2)16-8-10-18(11-9-16)25-14-15-6-5-7-17(13-15)20(21,22)23/h3-11,13,24H,1,12,14H2,2H3
InChIKeyOSVVXGUATLNDAV-UHFFFAOYSA-N
XLogP5.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.38
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine?
The IUPAC name of N-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine (CID 57046438) is N-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine.
What is the SMILES notation for N-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine?
The canonical SMILES for N-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine is C=CCONC(=CC)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine?
The InChIKey is OSVVXGUATLNDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-3-12-26-24-19(4-2)16-8-10-18(11-9-16)25-14-15-6-5-7-17(13-15)20(21,22)23/h3-11,13,24H,1,12,14H2,2H3.
What are the key properties of N-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine?
N-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine has a molecular weight of 363.38 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]prop-1-en-1-amine is sourced from PubChem (CID 57046438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).