4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one

C15H23NO3 — CID 116916071

IUPAC4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
SMILESCOc1cc(C(=O)C(C)CCN)c(OC)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-9(6-7-16)14(17)12-8-13(18-4)10(2)11(3)15(12)19-5/h8-9H,6-7,16H2,1-5H3
InChIKeySZGREYKJTJABRA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.49
Rot. Bonds6

About 4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one

4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one (PubChem CID 116916071) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
PubChem CID116916071
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
SMILESCOc1cc(C(=O)C(C)CCN)c(OC)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-9(6-7-16)14(17)12-8-13(18-4)10(2)11(3)15(12)19-5/h8-9H,6-7,16H2,1-5H3
InChIKeySZGREYKJTJABRA-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one
CID 116915986
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-sulfanylethanone
CID 116829944
1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one
CID 43626575
3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide
CID 115153528
5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
CID 116613631
1-(4,5-difluoro-2-methoxyphenyl)-2-methylpentan-1-one
CID 146006154
4-amino-1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-one
CID 116594998
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate
CID 116843292
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
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one?
The IUPAC name of 4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one (CID 116916071) is 4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one is COc1cc(C(=O)C(C)CCN)c(OC)c(C)c1C.
What is the InChIKey of 4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one?
The InChIKey is SZGREYKJTJABRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(6-7-16)14(17)12-8-13(18-4)10(2)11(3)15(12)19-5/h8-9H,6-7,16H2,1-5H3.
What are the key properties of 4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one?
4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one has a molecular weight of 265.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylbutan-1-one is sourced from PubChem (CID 116916071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).