N-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine

C19H28FNO3 — CID 22963605

IUPACN-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine
SMILESC=CCOc1cc(CC)c(OCCCON=C(C)C)c(CC)c1F
InChIInChI=1S/C19H28FNO3/c1-6-10-22-17-13-15(7-2)19(16(8-3)18(17)20)23-11-9-12-24-21-14(4)5/h6,13H,1,7-12H2,2-5H3
InChIKeyDASCADCAGUFRIJ-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.70
Rot. Bonds11

About N-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine

N-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine (PubChem CID 22963605) has the molecular formula C19H28FNO3 and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine.

Molecular Properties

Compound NameN-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine
PubChem CID22963605
Molecular FormulaC19H28FNO3
Molecular Weight337.44 g/mol
Exact Mass337.21
IUPAC NameN-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine
SMILESC=CCOc1cc(CC)c(OCCCON=C(C)C)c(CC)c1F
InChIInChI=1S/C19H28FNO3/c1-6-10-22-17-13-15(7-2)19(16(8-3)18(17)20)23-11-9-12-24-21-14(4)5/h6,13H,1,7-12H2,2-5H3
InChIKeyDASCADCAGUFRIJ-UHFFFAOYSA-N
XLogP4.70
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Butoxy-2-prop-2-enyl-1-propoxybenzene
CID 24770790
1,4-Dibutoxy-2-prop-2-enylbenzene
CID 24770793
N-[3-[4-(2-ethylbutyl)phenoxy]propoxy]propan-2-imine
CID 15676799
(E)-2-[4-(3,5-dimethylphenoxy)phenoxy]-N-ethoxyethanimine
CID 76312537
1-Butoxy-2-prop-2-enyl-4-propoxybenzene
CID 24770792
4-Butoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770852
1-(2,6-Dimethylphenoxy)propan-2-one oxime, (E)-
CID 21429264
(E)-N-ethoxy-2-[4-(2,3,6-trimethylphenoxy)phenoxy]ethanimine
CID 76312538
5-(4-Fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydroisoxazole
CID 139070320
N-[(5-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]propan-2-imine
CID 177851757
2-Propanone, 1-(2,5-dimethoxyphenyl)-, oxime
CID 9603481
4-(3,7-Dimethyloctoxy)-2-ethenyl-1-methoxybenzene
CID 5225511

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine?
The IUPAC name of N-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine (CID 22963605) is N-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine.
What is the SMILES notation for N-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine?
The canonical SMILES for N-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine is C=CCOc1cc(CC)c(OCCCON=C(C)C)c(CC)c1F.
What is the InChIKey of N-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine?
The InChIKey is DASCADCAGUFRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNO3/c1-6-10-22-17-13-15(7-2)19(16(8-3)18(17)20)23-11-9-12-24-21-14(4)5/h6,13H,1,7-12H2,2-5H3.
What are the key properties of N-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine?
N-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine has a molecular weight of 337.44 g/mol, XLogP of 4.70, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-diethyl-3-fluoro-4-prop-2-enoxyphenoxy)propoxy]propan-2-imine is sourced from PubChem (CID 22963605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).