3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one

C16H25NO2 — CID 106681729

IUPAC3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one
SMILESCOc1cc(C)cc(C)c1C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C16H25NO2/c1-10-8-11(2)13(12(9-10)19-7)14(18)15(3,4)16(5,6)17/h8-9H,17H2,1-7H3
InChIKeyPVTRVDWCDDJITP-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.26
Rot. Bonds4

About 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one

3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one (PubChem CID 106681729) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one
PubChem CID106681729
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one
SMILESCOc1cc(C)cc(C)c1C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C16H25NO2/c1-10-8-11(2)13(12(9-10)19-7)14(18)15(3,4)16(5,6)17/h8-9H,17H2,1-7H3
InChIKeyPVTRVDWCDDJITP-UHFFFAOYSA-N
XLogP3.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-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-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106681968
(2S)-2-amino-2-(2-methoxy-4,6-dimethylphenyl)propanoic acid
CID 165354727
1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one
CID 21060132
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
3-amino-1-(3,4-dimethoxyphenyl)-2,2,3-trimethylbutan-1-one
CID 116573635
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
CID 106679943
3-amino-1-(3,5-dimethylphenyl)-2,2,3-trimethylbutan-1-one
CID 116573501
(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681940
(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681672
7-amino-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-one
CID 106681678
(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 106681878

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one?
The IUPAC name of 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one (CID 106681729) is 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one.
What is the SMILES notation for 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one?
The canonical SMILES for 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one is COc1cc(C)cc(C)c1C(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one?
The InChIKey is PVTRVDWCDDJITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10-8-11(2)13(12(9-10)19-7)14(18)15(3,4)16(5,6)17/h8-9H,17H2,1-7H3.
What are the key properties of 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one?
3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one is sourced from PubChem (CID 106681729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).