[1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate

C19H30FNO2 — CID 123928943

IUPAC[1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate
SMILESCCC(C)CC(C)/N=C(\C)OC(C)C(OC)c1ccccc1F
InChIInChI=1S/C19H30FNO2/c1-7-13(2)12-14(3)21-16(5)23-15(4)19(22-6)17-10-8-9-11-18(17)20/h8-11,13-15,19H,7,12H2,1-6H3/b21-16+
InChIKeyATWHLBBIWIFENL-LTGZKZEYSA-N
MW323.45 g/mol
LogP5.16
Rot. Bonds8

About [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate

[1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate (PubChem CID 123928943) has the molecular formula C19H30FNO2 and a molecular weight of 323.45 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate
PubChem CID123928943
Molecular FormulaC19H30FNO2
Molecular Weight323.45 g/mol
Exact Mass323.23
IUPAC Name[1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate
SMILESCCC(C)CC(C)/N=C(\C)OC(C)C(OC)c1ccccc1F
InChIInChI=1S/C19H30FNO2/c1-7-13(2)12-14(3)21-16(5)23-15(4)19(22-6)17-10-8-9-11-18(17)20/h8-11,13-15,19H,7,12H2,1-6H3/b21-16+
InChIKeyATWHLBBIWIFENL-LTGZKZEYSA-N
XLogP5.16
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.45
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
(4R,5S)-4-Fluoromethyl-4,5-dihydro-2-methyl-5-phenyl-1,3-oxazole
CID 25020817
((4S,5S)-2-methyl-5-phenyl(1,3-oxazolin-4-yl))methoxymethane
CID 6732872
2-Methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 12387932
2-Ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 12755427
4-(Methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 103584
trans-4,5-Dihydro-4-methyl-5-phenyl-2-trifluoro-methyloxazole
CID 129708533
trans-4,5-Dihydro-4-methyl-5-phenyl-2-trifluoromethyl-oxazole
CID 129708552
[(E)-1-phenylbut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 139250962
2-Butyl-5-phenyl-4,5-dihydro-oxazole
CID 13484533
(4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 101417791
(4S,5S)-2-ethyl-4-methoxymethyl-5-phenyl-2-oxazoline
CID 10932944

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate?
The IUPAC name of [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate (CID 123928943) is [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate.
What is the SMILES notation for [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate?
The canonical SMILES for [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate is CCC(C)CC(C)/N=C(\C)OC(C)C(OC)c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate?
The InChIKey is ATWHLBBIWIFENL-LTGZKZEYSA-N. The full InChI is InChI=1S/C19H30FNO2/c1-7-13(2)12-14(3)21-16(5)23-15(4)19(22-6)17-10-8-9-11-18(17)20/h8-11,13-15,19H,7,12H2,1-6H3/b21-16+.
What are the key properties of [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate?
[1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate has a molecular weight of 323.45 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate is sourced from PubChem (CID 123928943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).