N-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine

C16H22FNO2 — CID 76696796

IUPACN-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine
SMILESC=C(CC)COc1ccc(C(CC)=NOCC)c(F)c1
InChIInChI=1S/C16H22FNO2/c1-5-12(4)11-19-13-8-9-14(15(17)10-13)16(6-2)18-20-7-3/h8-10H,4-7,11H2,1-3H3
InChIKeyWENKJUUZVYENEN-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.32
Rot. Bonds8

About N-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine

N-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine (PubChem CID 76696796) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is N-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine.

Molecular Properties

Compound NameN-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine
PubChem CID76696796
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC NameN-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine
SMILESC=C(CC)COc1ccc(C(CC)=NOCC)c(F)c1
InChIInChI=1S/C16H22FNO2/c1-5-12(4)11-19-13-8-9-14(15(17)10-13)16(6-2)18-20-7-3/h8-10H,4-7,11H2,1-3H3
InChIKeyWENKJUUZVYENEN-UHFFFAOYSA-N
XLogP4.32
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-Ethoxybenzaldehyde oxime
CID 6904186
N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5397262
(5R)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26433643
(5R)-5-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561710
5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole
CID 59544955
1-(4-Methoxyphenyl)ethanone oxime
CID 5355943
Chroman-4-one oxime
CID 9673039
N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine
CID 11229314
(E)-N-[(3Z)-4-(4-Ethoxyphenyl)but-3-EN-2-ylidene]hydroxylamine
CID 5340604
1,2-bis(4-methoxyphenyl)ethanone O-acetyloxime
CID 5410067
(1E)-1-(4-ethoxyphenyl)-N-hydroxy-1-(hydroxyimino)propan-2-amine
CID 5734186
1-[4-(Allyloxy)-3-methoxyphenyl]-1-propanone oxime
CID 9587247

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine?
The IUPAC name of N-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine (CID 76696796) is N-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine.
What is the SMILES notation for N-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine?
The canonical SMILES for N-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine is C=C(CC)COc1ccc(C(CC)=NOCC)c(F)c1.
What is the InChIKey of N-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine?
The InChIKey is WENKJUUZVYENEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-5-12(4)11-19-13-8-9-14(15(17)10-13)16(6-2)18-20-7-3/h8-10H,4-7,11H2,1-3H3.
What are the key properties of N-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine?
N-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine has a molecular weight of 279.36 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine is sourced from PubChem (CID 76696796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).