[1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate

C18H26FNO2 — CID 123822781

IUPAC[1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate
SMILESCOC(c1ccccc1F)C(C)O/C(C)=N/C1CCC(C)C1
InChIInChI=1S/C18H26FNO2/c1-12-9-10-15(11-12)20-14(3)22-13(2)18(21-4)16-7-5-6-8-17(16)19/h5-8,12-13,15,18H,9-11H2,1-4H3/b20-14+
InChIKeyOTJCQXOLAAXSQM-XSFVSMFZSA-N
MW307.41 g/mol
LogP4.53
Rot. Bonds5

About [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate

[1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate (PubChem CID 123822781) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate
PubChem CID123822781
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name[1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate
SMILESCOC(c1ccccc1F)C(C)O/C(C)=N/C1CCC(C)C1
InChIInChI=1S/C18H26FNO2/c1-12-9-10-15(11-12)20-14(3)22-13(2)18(21-4)16-7-5-6-8-17(16)19/h5-8,12-13,15,18H,9-11H2,1-4H3/b20-14+
InChIKeyOTJCQXOLAAXSQM-XSFVSMFZSA-N
XLogP4.53
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 54.53
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

(2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120641315
1-(2-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411471
1-(cyclohexylmethoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62383305
[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate
CID 123526733
N-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]oxymethyl]-1-phenylmethanamine
CID 123492460
(2-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754393
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol
CID 106645085
1-(1-cyclopropylethyl)-2-fluorobenzene
CID 126566249
[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] 3-methylbutanoate
CID 158510765
3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997143
(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol
CID 65401333
1-(2-fluorophenyl)-1-trimethylsilyloxypropan-2-amine
CID 112548408

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate?
The IUPAC name of [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate (CID 123822781) is [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate.
What is the SMILES notation for [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate?
The canonical SMILES for [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate is COC(c1ccccc1F)C(C)O/C(C)=N/C1CCC(C)C1.
What is the InChIKey of [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate?
The InChIKey is OTJCQXOLAAXSQM-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-12-9-10-15(11-12)20-14(3)22-13(2)18(21-4)16-7-5-6-8-17(16)19/h5-8,12-13,15,18H,9-11H2,1-4H3/b20-14+.
What are the key properties of [1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate?
[1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate has a molecular weight of 307.41 g/mol, XLogP of 4.53, 5 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-(3-methylcyclopentyl)ethanimidate is sourced from PubChem (CID 123822781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).