1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one

C14H21NO3 — CID 116859967

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one
SMILESCOc1cc(C)c(C(C(C)=O)N(C)C)cc1OC
InChIInChI=1S/C14H21NO3/c1-9-7-12(17-5)13(18-6)8-11(9)14(10(2)16)15(3)4/h7-8,14H,1-6H3
InChIKeyNYGKYCPBIKMPOG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.20
Rot. Bonds5

About 1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one

1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one (PubChem CID 116859967) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one
PubChem CID116859967
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one
SMILESCOc1cc(C)c(C(C(C)=O)N(C)C)cc1OC
InChIInChI=1S/C14H21NO3/c1-9-7-12(17-5)13(18-6)8-11(9)14(10(2)16)15(3)4/h7-8,14H,1-6H3
InChIKeyNYGKYCPBIKMPOG-UHFFFAOYSA-N
XLogP2.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-1-(4,5-dimethoxy-2-methylphenyl)propan-2-one
CID 116859802
1-(dimethylamino)-1-(6-methyl-1,3-benzodioxol-5-yl)propan-2-one
CID 116860007
2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol
CID 116863696
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 116915074
3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide
CID 116849248
N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide
CID 115191032
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol
CID 116911728
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
(1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one
CID 46848158
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid
CID 82476708
N-(2-methoxy-4,5-dimethylphenyl)-N-methylacetamide
CID 115190996

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one (CID 116859967) is 1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one is COc1cc(C)c(C(C(C)=O)N(C)C)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one?
The InChIKey is NYGKYCPBIKMPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-7-12(17-5)13(18-6)8-11(9)14(10(2)16)15(3)4/h7-8,14H,1-6H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one?
1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one has a molecular weight of 251.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one is sourced from PubChem (CID 116859967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).