1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone

C14H21NO3 — CID 117381796

IUPAC1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C(C)C)cc(OC)c1OC
InChIInChI=1S/C14H21NO3/c1-9(2)10-6-11(12(16)8-15-3)14(18-5)13(7-10)17-4/h6-7,9,15H,8H2,1-5H3
InChIKeyXYGLEBYZIBAZMP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.23
Rot. Bonds6

About 1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone

1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone (PubChem CID 117381796) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
PubChem CID117381796
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C(C)C)cc(OC)c1OC
InChIInChI=1S/C14H21NO3/c1-9(2)10-6-11(12(16)8-15-3)14(18-5)13(7-10)17-4/h6-7,9,15H,8H2,1-5H3
InChIKeyXYGLEBYZIBAZMP-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117347105
1-[5-(difluoromethyl)-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117330012
1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117313439
1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117488916
1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117460366
3-amino-1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]propan-1-one
CID 117391123
1-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117391080
1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117432208
1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 117319719
1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone
CID 98784318
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
1-(2-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464837

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone (CID 117381796) is 1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(C(C)C)cc(OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone?
The InChIKey is XYGLEBYZIBAZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9(2)10-6-11(12(16)8-15-3)14(18-5)13(7-10)17-4/h6-7,9,15H,8H2,1-5H3.
What are the key properties of 1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone?
1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone has a molecular weight of 251.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117381796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).