1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone

C16H23NO3 — CID 114620999

IUPAC1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone
SMILESCC(=O)c1cc(N)ccc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H23NO3/c1-10(18)12-8-11(17)6-7-13(12)19-14-9-15(2,3)20-16(14,4)5/h6-8,14H,9,17H2,1-5H3
InChIKeyQMRADBSODFUHHN-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.20
Rot. Bonds3

About 1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone

1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone (PubChem CID 114620999) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone
PubChem CID114620999
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone
SMILESCC(=O)c1cc(N)ccc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H23NO3/c1-10(18)12-8-11(17)6-7-13(12)19-14-9-15(2,3)20-16(14,4)5/h6-8,14H,9,17H2,1-5H3
InChIKeyQMRADBSODFUHHN-UHFFFAOYSA-N
XLogP3.20
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]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

5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
CID 114621017
(2,2,5,5-tetramethyloxolan-3-yl) 4-amino-2-fluorobenzoate
CID 114623752
5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide
CID 114621747
3-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
CID 107077281
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 114621610
2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
CID 107671055
1-[5-amino-2-(3-methylcyclohexyl)oxyphenyl]ethanone
CID 116541096
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
(1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 104940303
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
[6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxy-2-pyridinyl]methanamine
CID 114621146
3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane
CID 107691461

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone?
The IUPAC name of 1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone (CID 114620999) is 1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone?
The canonical SMILES for 1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone is CC(=O)c1cc(N)ccc1OC1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone?
The InChIKey is QMRADBSODFUHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10(18)12-8-11(17)6-7-13(12)19-14-9-15(2,3)20-16(14,4)5/h6-8,14H,9,17H2,1-5H3.
What are the key properties of 1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone?
1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone has a molecular weight of 277.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone is sourced from PubChem (CID 114620999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).