(3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone

C12H16N2O2 — CID 107673339

IUPAC(3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CC(C)(N)C1
InChIInChI=1S/C12H16N2O2/c1-8-5-9(15)3-4-10(8)11(16)14-6-12(2,13)7-14/h3-5,15H,6-7,13H2,1-2H3
InChIKeyMDSVGBDEFNGODE-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.87
Rot. Bonds1

About (3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone

(3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone (PubChem CID 107673339) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
PubChem CID107673339
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CC(C)(N)C1
InChIInChI=1S/C12H16N2O2/c1-8-5-9(15)3-4-10(8)11(16)14-6-12(2,13)7-14/h3-5,15H,6-7,13H2,1-2H3
InChIKeyMDSVGBDEFNGODE-UHFFFAOYSA-N
XLogP0.87
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-2-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210580
(3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81479030
(3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299654
(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103579414
[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107672038
(4-hydroxy-2-methylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 103865632
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 103865451
(3-bromopyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107672985
3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 107670785
N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide
CID 107672471
(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103863645

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
The IUPAC name of (3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone (CID 107673339) is (3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for (3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for (3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone is Cc1cc(O)ccc1C(=O)N1CC(C)(N)C1.
What is the InChIKey of (3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
The InChIKey is MDSVGBDEFNGODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-5-9(15)3-4-10(8)11(16)14-6-12(2,13)7-14/h3-5,15H,6-7,13H2,1-2H3.
What are the key properties of (3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
(3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone has a molecular weight of 220.27 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 107673339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).