2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one

C14H19FN2O2 — CID 119073145

IUPAC2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CC(Oc2ccc(F)cc2)C1)N(C)C
InChIInChI=1S/C14H19FN2O2/c1-10(16(2)3)14(18)17-8-13(9-17)19-12-6-4-11(15)5-7-12/h4-7,10,13H,8-9H2,1-3H3
InChIKeyJQKXYSQAEDFWBW-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.37
Rot. Bonds4

About 2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one

2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one (PubChem CID 119073145) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one
PubChem CID119073145
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CC(Oc2ccc(F)cc2)C1)N(C)C
InChIInChI=1S/C14H19FN2O2/c1-10(16(2)3)14(18)17-8-13(9-17)19-12-6-4-11(15)5-7-12/h4-7,10,13H,8-9H2,1-3H3
InChIKeyJQKXYSQAEDFWBW-UHFFFAOYSA-N
XLogP1.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 97198398
(2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone
CID 99955291
(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67530037
(2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone
CID 126430189
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913
tert-butyl N-[(2S)-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
CID 90715922
1-ethyl-3-(4-fluorophenoxy)azetidine
CID 89379644
(4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97154166
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide
CID 121494905
2-chloro-1-[(3S)-3-(4-fluorophenoxy)pyrrolidin-1-yl]ethanone
CID 166407433
[3-(4-fluorophenoxy)azetidin-1-yl]-[(2R)-morpholin-2-yl]methanone
CID 125177233
1-[3-(difluoromethoxy)azetidin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one
CID 146092256

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one?
The IUPAC name of 2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one (CID 119073145) is 2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one is CC(C(=O)N1CC(Oc2ccc(F)cc2)C1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one?
The InChIKey is JQKXYSQAEDFWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10(16(2)3)14(18)17-8-13(9-17)19-12-6-4-11(15)5-7-12/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one?
2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one has a molecular weight of 266.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 119073145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).