2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone

C17H25NO — CID 114239619

IUPAC2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)CC2CCCCCCN2)c1
InChIInChI=1S/C17H25NO/c1-13-8-9-14(2)16(11-13)17(19)12-15-7-5-3-4-6-10-18-15/h8-9,11,15,18H,3-7,10,12H2,1-2H3
InChIKeyHZELKCSIWLNSLH-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.80
Rot. Bonds3

About 2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone

2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone (PubChem CID 114239619) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone
PubChem CID114239619
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)CC2CCCCCCN2)c1
InChIInChI=1S/C17H25NO/c1-13-8-9-14(2)16(11-13)17(19)12-15-7-5-3-4-6-10-18-15/h8-9,11,15,18H,3-7,10,12H2,1-2H3
InChIKeyHZELKCSIWLNSLH-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone 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-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone
CID 116917151
2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone
CID 79536019
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
2-(azepan-2-yl)-1-(2,4-dichlorophenyl)ethanone
CID 79538236
N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 115160160
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
2-(azepan-2-yl)-1-(4-methyl-3-nitrophenyl)ethanone
CID 79538706
2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone
CID 79538703
1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol
CID 79560663
2-(azocan-2-yl)-1-(4-bromo-2-chlorophenyl)ethanone
CID 114239637
2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone
CID 82121333
N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211094

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone (CID 114239619) is 2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(C(=O)CC2CCCCCCN2)c1.
What is the InChIKey of 2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone?
The InChIKey is HZELKCSIWLNSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-8-9-14(2)16(11-13)17(19)12-15-7-5-3-4-6-10-18-15/h8-9,11,15,18H,3-7,10,12H2,1-2H3.
What are the key properties of 2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone?
2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone has a molecular weight of 259.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 114239619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).