(3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone

C12H15FN2O — CID 81479030

IUPAC(3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CC(C)(N)C2)c1F
InChIInChI=1S/C12H15FN2O/c1-8-4-3-5-9(10(8)13)11(16)15-6-12(2,14)7-15/h3-5H,6-7,14H2,1-2H3
InChIKeyIBDWLHSDPVWRKU-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.31
Rot. Bonds1

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

(3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone (PubChem CID 81479030) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone
PubChem CID81479030
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CC(C)(N)C2)c1F
InChIInChI=1S/C12H15FN2O/c1-8-4-3-5-9(10(8)13)11(16)15-6-12(2,14)7-15/h3-5H,6-7,14H2,1-2H3
InChIKeyIBDWLHSDPVWRKU-UHFFFAOYSA-N
XLogP1.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluoro-3-methylphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 81477658
(4,4-dimethylazepan-1-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711269
ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate
CID 80710422
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711261
[4-(2-fluoro-3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 154833021
(3-amino-3-methylazetidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107673339
(3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299654
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone
CID 103933005
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-fluoro-3-methylphenyl)methanone
CID 80718430
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 81481180
(2-fluoro-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80717951
1-(2-fluoro-3-methylbenzoyl)piperidine-4-carbothioamide
CID 81477321

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone?
The IUPAC name of (3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone (CID 81479030) is (3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone is Cc1cccc(C(=O)N2CC(C)(N)C2)c1F.
What is the InChIKey of (3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone?
The InChIKey is IBDWLHSDPVWRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-4-3-5-9(10(8)13)11(16)15-6-12(2,14)7-15/h3-5H,6-7,14H2,1-2H3.
What are the key properties of (3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone?
(3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone has a molecular weight of 222.26 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-methylazetidin-1-yl)-(2-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 81479030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).