(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone

C11H13ClN2O2 — CID 65244224

IUPAC(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CC(N)C1
InChIInChI=1S/C11H13ClN2O2/c1-16-10-3-2-7(12)4-9(10)11(15)14-5-8(13)6-14/h2-4,8H,5-6,13H2,1H3
InChIKeyVYYCWRCAXBJMKT-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.13
Rot. Bonds2

About (3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone

(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone (PubChem CID 65244224) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone
PubChem CID65244224
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CC(N)C1
InChIInChI=1S/C11H13ClN2O2/c1-16-10-3-2-7(12)4-9(10)11(15)14-5-8(13)6-14/h2-4,8H,5-6,13H2,1H3
InChIKeyVYYCWRCAXBJMKT-UHFFFAOYSA-N
XLogP1.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 119380845
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 63755995
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 120658746
(5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
CID 91783571
(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70713898
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
(3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119378579

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone (CID 65244224) is (3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone is COc1ccc(Cl)cc1C(=O)N1CC(N)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone?
The InChIKey is VYYCWRCAXBJMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-16-10-3-2-7(12)4-9(10)11(15)14-5-8(13)6-14/h2-4,8H,5-6,13H2,1H3.
What are the key properties of (3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone?
(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone has a molecular weight of 240.69 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 65244224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).