4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one

C15H23NO3 — CID 116916392

IUPAC4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one
SMILESCOc1cc(C)c(C(=O)C(C)(C)CCN)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-10-8-11(18-4)9-12(19-5)13(10)14(17)15(2,3)6-7-16/h8-9H,6-7,16H2,1-5H3
InChIKeySRIBAGAUYWHJQM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.57
Rot. Bonds6

About 4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one

4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one (PubChem CID 116916392) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one
PubChem CID116916392
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one
SMILESCOc1cc(C)c(C(=O)C(C)(C)CCN)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-10-8-11(18-4)9-12(19-5)13(10)14(17)15(2,3)6-7-16/h8-9H,6-7,16H2,1-5H3
InChIKeySRIBAGAUYWHJQM-UHFFFAOYSA-N
XLogP2.57
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine
CID 116925176
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate
CID 116927600
4-amino-1-(2,5-difluoro-4-methoxyphenyl)-2,2-dimethylbutan-1-one
CID 116916391
2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
CID 116843073
3,3-dimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-one
CID 98033306
3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one
CID 106681729
ethyl 2-fluoro-4,6-dimethoxybenzoate
CID 134644513
4-(2,4-dimethoxy-6-methylphenyl)-4-oxobutanenitrile
CID 116862133
[ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183748
1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine
CID 115200420

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one?
The IUPAC name of 4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one (CID 116916392) is 4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one.
What is the SMILES notation for 4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one?
The canonical SMILES for 4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one is COc1cc(C)c(C(=O)C(C)(C)CCN)c(OC)c1.
What is the InChIKey of 4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one?
The InChIKey is SRIBAGAUYWHJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-8-11(18-4)9-12(19-5)13(10)14(17)15(2,3)6-7-16/h8-9H,6-7,16H2,1-5H3.
What are the key properties of 4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one?
4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one has a molecular weight of 265.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one is sourced from PubChem (CID 116916392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).