4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one

C14H21NO2 — CID 116915986

IUPAC4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one
SMILESCOc1cc(C)c(C)cc1C(=O)C(C)CCN
InChIInChI=1S/C14H21NO2/c1-9(5-6-15)14(16)12-7-10(2)11(3)8-13(12)17-4/h7-9H,5-6,15H2,1-4H3
InChIKeyFSKBXIPMDNZQOM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.48
Rot. Bonds5

About 4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one

4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one (PubChem CID 116915986) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one
PubChem CID116915986
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one
SMILESCOc1cc(C)c(C)cc1C(=O)C(C)CCN
InChIInChI=1S/C14H21NO2/c1-9(5-6-15)14(16)12-7-10(2)11(3)8-13(12)17-4/h7-9H,5-6,15H2,1-4H3
InChIKeyFSKBXIPMDNZQOM-UHFFFAOYSA-N
XLogP2.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one
CID 116916007
4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
CID 116916071
1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one
CID 65439340
2-bromo-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 12937025
1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one
CID 43626575
1-(4,5-difluoro-2-methoxyphenyl)-2-methylpentan-1-one
CID 146006154
4-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-one
CID 116916091
2-bromo-3-chloro-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 82124813
methyl 5-(2-methoxy-4,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate
CID 82350028
6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one
CID 116574340
4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one
CID 115807525
4-(4,5-dimethoxy-2-methylphenyl)-3-methyl-4-oxobutanoic acid
CID 116918300

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one?
The IUPAC name of 4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one (CID 116915986) is 4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one is COc1cc(C)c(C)cc1C(=O)C(C)CCN.
What is the InChIKey of 4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one?
The InChIKey is FSKBXIPMDNZQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(5-6-15)14(16)12-7-10(2)11(3)8-13(12)17-4/h7-9H,5-6,15H2,1-4H3.
What are the key properties of 4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one?
4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one is sourced from PubChem (CID 116915986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).