[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

C17H26ClFN2O3 — CID 119649914

IUPAC[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN1C(=O)c1ccc(F)c(COCCOC)c1.Cl
InChIInChI=1S/C17H25FN2O3.ClH/c1-19-11-15-4-3-7-20(15)17(21)13-5-6-16(18)14(10-13)12-23-9-8-22-2;/h5-6,10,15,19H,3-4,7-9,11-12H2,1-2H3;1H
InChIKeyARISLJPGMKDULC-UHFFFAOYSA-N
MW360.86 g/mol
LogP2.23
Rot. Bonds8

About [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119649914) has the molecular formula C17H26ClFN2O3 and a molecular weight of 360.86 g/mol. Its IUPAC name is [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119649914
Molecular FormulaC17H26ClFN2O3
Molecular Weight360.86 g/mol
Exact Mass360.16
IUPAC Name[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN1C(=O)c1ccc(F)c(COCCOC)c1.Cl
InChIInChI=1S/C17H25FN2O3.ClH/c1-19-11-15-4-3-7-20(15)17(21)13-5-6-16(18)14(10-13)12-23-9-8-22-2;/h5-6,10,15,19H,3-4,7-9,11-12H2,1-2H3;1H
InChIKeyARISLJPGMKDULC-UHFFFAOYSA-N
XLogP2.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone
CID 119467493
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883
(4-bromo-3-fluorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484830
[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride
CID 119410771
[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone
CID 119410772
3,9-diazabicyclo[4.2.1]nonan-3-yl-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride
CID 119636598
(3-methoxy-4-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484301
[4-(2,4-difluorophenoxy)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649389
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
[4-(difluoromethoxy)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484657
(4-hydroxy-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 107672250
(3-ethoxy-4-propoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650979

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119649914) is [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is CNCC1CCCN1C(=O)c1ccc(F)c(COCCOC)c1.Cl.
What is the InChIKey of [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is ARISLJPGMKDULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3.ClH/c1-19-11-15-4-3-7-20(15)17(21)13-5-6-16(18)14(10-13)12-23-9-8-22-2;/h5-6,10,15,19H,3-4,7-9,11-12H2,1-2H3;1H.
What are the key properties of [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 360.86 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119649914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).