1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one

C14H21NO3 — CID 112514041

IUPAC1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one
SMILESCCc1cc(OC)c(C(=O)C(C)NC)cc1OC
InChIInChI=1S/C14H21NO3/c1-6-10-7-13(18-5)11(8-12(10)17-4)14(16)9(2)15-3/h7-9,15H,6H2,1-5H3
InChIKeyKSEARJQUDMNWDG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.06
Rot. Bonds6

About 1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one

1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one (PubChem CID 112514041) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one
PubChem CID112514041
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one
SMILESCCc1cc(OC)c(C(=O)C(C)NC)cc1OC
InChIInChI=1S/C14H21NO3/c1-6-10-7-13(18-5)11(8-12(10)17-4)14(16)9(2)15-3/h7-9,15H,6H2,1-5H3
InChIKeyKSEARJQUDMNWDG-UHFFFAOYSA-N
XLogP2.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one
CID 132988636
1-[4-(2-aminoethyl)-2,5-dimethoxyphenyl]-2-methylpropan-1-one
CID 171534658
1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one
CID 112512244
2,5-diethyl-4-methoxyphenol
CID 162375149
1-(7-methoxy-1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one;hydrochloride
CID 132988633
2-methyl-3-oxo-3-(2,4,5-trimethoxyphenyl)propanoic acid
CID 116918258
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one
CID 82101101
2-(hydroxymethyl)-1-(2,4,5-trimethoxyphenyl)butan-1-one
CID 116923105
1-[5-ethyl-2-(hydroxymethyl)-4-methoxyphenyl]propan-1-one
CID 118438431
methyl 3-(5-ethyl-2,4-dimethoxybenzoyl)benzoate
CID 14820048
2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid
CID 82473167
methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116856998

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one (CID 112514041) is 1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one is CCc1cc(OC)c(C(=O)C(C)NC)cc1OC.
What is the InChIKey of 1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one?
The InChIKey is KSEARJQUDMNWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-6-10-7-13(18-5)11(8-12(10)17-4)14(16)9(2)15-3/h7-9,15H,6H2,1-5H3.
What are the key properties of 1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one?
1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one has a molecular weight of 251.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2,5-dimethoxyphenyl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 112514041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).