1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one

C15H21NO — CID 176929990

IUPAC1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one
SMILESCCC(=O)C1CN(Cc2ccc(C)c(C)c2)C1
InChIInChI=1S/C15H21NO/c1-4-15(17)14-9-16(10-14)8-13-6-5-11(2)12(3)7-13/h5-7,14H,4,8-10H2,1-3H3
InChIKeyARHPVISRSLBGEL-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.71
Rot. Bonds4

About 1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one

1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one (PubChem CID 176929990) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one
PubChem CID176929990
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one
SMILESCCC(=O)C1CN(Cc2ccc(C)c(C)c2)C1
InChIInChI=1S/C15H21NO/c1-4-15(17)14-9-16(10-14)8-13-6-5-11(2)12(3)7-13/h5-7,14H,4,8-10H2,1-3H3
InChIKeyARHPVISRSLBGEL-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one 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

1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
1-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 123780997
N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide
CID 167870587
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]propan-1-one
CID 83980778
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide
CID 46054953
1-[4-[2-(3,4-dimethylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110799856
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176931156
2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982741
1-[(3-hydroxy-4-methoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65071834

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one?
The IUPAC name of 1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one (CID 176929990) is 1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one?
The canonical SMILES for 1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one is CCC(=O)C1CN(Cc2ccc(C)c(C)c2)C1.
What is the InChIKey of 1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one?
The InChIKey is ARHPVISRSLBGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-15(17)14-9-16(10-14)8-13-6-5-11(2)12(3)7-13/h5-7,14H,4,8-10H2,1-3H3.
What are the key properties of 1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one?
1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one is sourced from PubChem (CID 176929990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).