2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one

C15H19ClN2O2 — CID 75483886

IUPAC2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one
SMILESCC(N)(C(=O)N1CC(Oc2ccccc2Cl)C1)C1CC1
InChIInChI=1S/C15H19ClN2O2/c1-15(17,10-6-7-10)14(19)18-8-11(9-18)20-13-5-3-2-4-12(13)16/h2-5,10-11H,6-9,17H2,1H3
InChIKeyFACHZGIRJFDDIO-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.06
Rot. Bonds4

About 2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one

2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one (PubChem CID 75483886) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one
PubChem CID75483886
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one
SMILESCC(N)(C(=O)N1CC(Oc2ccccc2Cl)C1)C1CC1
InChIInChI=1S/C15H19ClN2O2/c1-15(17,10-6-7-10)14(19)18-8-11(9-18)20-13-5-3-2-4-12(13)16/h2-5,10-11H,6-9,17H2,1H3
InChIKeyFACHZGIRJFDDIO-UHFFFAOYSA-N
XLogP2.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one
CID 124593505
1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 70741375
N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 97152963
(2S)-2-amino-1-[(3R)-3-(2-chlorophenoxy)pyrrolidin-1-yl]pentan-1-one
CID 97261184
3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one
CID 120873460
[3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone
CID 70771967
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
tert-butyl 3-(3-chloro-2-methoxycarbonylphenoxy)azetidine-1-carboxylate
CID 178112450
(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 96581204
(2S)-2-amino-1-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 91647253
1-[3-(2-chlorophenoxy)azetidin-1-yl]-3-imidazol-1-ylbutan-1-one
CID 118786424
tert-butyl 3-(2,3-dichlorophenoxy)pyrrolidine-1-carboxylate
CID 69451031

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one?
The IUPAC name of 2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one (CID 75483886) is 2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one.
What is the SMILES notation for 2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one?
The canonical SMILES for 2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one is CC(N)(C(=O)N1CC(Oc2ccccc2Cl)C1)C1CC1.
What is the InChIKey of 2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one?
The InChIKey is FACHZGIRJFDDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-15(17,10-6-7-10)14(19)18-8-11(9-18)20-13-5-3-2-4-12(13)16/h2-5,10-11H,6-9,17H2,1H3.
What are the key properties of 2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one?
2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one has a molecular weight of 294.78 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one is sourced from PubChem (CID 75483886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).