(2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

C12H16N2O3 — CID 107210563

IUPAC(2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCOc1cccc(N)c1C(=O)N1CC(C)(O)C1
InChIInChI=1S/C12H16N2O3/c1-12(16)6-14(7-12)11(15)10-8(13)4-3-5-9(10)17-2/h3-5,16H,6-7,13H2,1-2H3
InChIKeyMFTOKWKUXGLNLH-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.48
Rot. Bonds2

About (2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

(2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (PubChem CID 107210563) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
PubChem CID107210563
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCOc1cccc(N)c1C(=O)N1CC(C)(O)C1
InChIInChI=1S/C12H16N2O3/c1-12(16)6-14(7-12)11(15)10-8(13)4-3-5-9(10)17-2/h3-5,16H,6-7,13H2,1-2H3
InChIKeyMFTOKWKUXGLNLH-UHFFFAOYSA-N
XLogP0.48
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81420206
(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776093
(2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 81394866
(2-amino-6-methoxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 81395584
(2-amino-6-methoxyphenyl)-(1,4-thiazepan-4-yl)methanone
CID 81420652
(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210554
4-(2-amino-6-methoxybenzoyl)piperazin-2-one
CID 81410266
2-[1-(2-amino-6-methoxybenzoyl)piperidin-4-yl]acetamide
CID 81394842
(2-amino-6-methoxyphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81395791
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
(3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone
CID 81121651
(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81393898

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The IUPAC name of (2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (CID 107210563) is (2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is COc1cccc(N)c1C(=O)N1CC(C)(O)C1.
What is the InChIKey of (2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The InChIKey is MFTOKWKUXGLNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(16)6-14(7-12)11(15)10-8(13)4-3-5-9(10)17-2/h3-5,16H,6-7,13H2,1-2H3.
What are the key properties of (2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
(2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone has a molecular weight of 236.27 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 107210563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).