1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone

C15H21NO2 — CID 114468372

IUPAC1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C15H21NO2/c1-11(17)12-4-6-13(7-5-12)16-14-8-9-18-15(2,3)10-14/h4-7,14,16H,8-10H2,1-3H3
InChIKeyPSKBPGODAOTLOI-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.26
Rot. Bonds3

About 1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone

1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone (PubChem CID 114468372) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone
PubChem CID114468372
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C15H21NO2/c1-11(17)12-4-6-13(7-5-12)16-14-8-9-18-15(2,3)10-14/h4-7,14,16H,8-10H2,1-3H3
InChIKeyPSKBPGODAOTLOI-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]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

(4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine
CID 40899638
4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 115563563
N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 83028490
5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid
CID 83040507
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide
CID 83039025
6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide
CID 113336597
3-N-(2,2-dimethyloxan-4-yl)benzene-1,3-diamine
CID 83027347
1-(5-acetyl-2-methylphenyl)-3-(2,2-dimethyloxan-4-yl)urea
CID 143698513
1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea
CID 3688648
2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide
CID 83035007
N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82811776
3-(4-acetylanilino)cyclobutane-1-carboxylic acid
CID 117027767

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone (CID 114468372) is 1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone is CC(=O)c1ccc(NC2CCOC(C)(C)C2)cc1.
What is the InChIKey of 1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone?
The InChIKey is PSKBPGODAOTLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(17)12-4-6-13(7-5-12)16-14-8-9-18-15(2,3)10-14/h4-7,14,16H,8-10H2,1-3H3.
What are the key properties of 1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone?
1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 114468372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).