2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone

C13H19NO3 — CID 98015033

IUPAC2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone
SMILESCOc1cc(C)c(C(=O)CNCCO)cc1C
InChIInChI=1S/C13H19NO3/c1-9-7-13(17-3)10(2)6-11(9)12(16)8-14-4-5-15/h6-7,14-15H,4-5,8H2,1-3H3
InChIKeyXGZJZXJPLSCZHB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.08
Rot. Bonds6

About 2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone

2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone (PubChem CID 98015033) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone
PubChem CID98015033
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone
SMILESCOc1cc(C)c(C(=O)CNCCO)cc1C
InChIInChI=1S/C13H19NO3/c1-9-7-13(17-3)10(2)6-11(9)12(16)8-14-4-5-15/h6-7,14-15H,4-5,8H2,1-3H3
InChIKeyXGZJZXJPLSCZHB-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-2-(prop-2-ynylamino)ethanone
CID 116589496
2-[[2-(4-methoxy-2,5-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
CID 112513634
1-(4-methoxy-2,5-dimethylphenyl)pentane-1,3-dione
CID 94262228
1-(4-methoxy-2,5-dimethylphenyl)pentane-1,4-dione
CID 94686157
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butane-1,3-dione
CID 98579550
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone
CID 94978957
2-(ethylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
CID 94978289
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
CID 113370093
1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
CID 82101767
1-(4,5-dimethoxy-2-methylphenyl)-4-hydroxybutan-1-one
CID 98015233
3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 105127255
2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
CID 82101787

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone (CID 98015033) is 2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone is COc1cc(C)c(C(=O)CNCCO)cc1C.
What is the InChIKey of 2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone?
The InChIKey is XGZJZXJPLSCZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-7-13(17-3)10(2)6-11(9)12(16)8-14-4-5-15/h6-7,14-15H,4-5,8H2,1-3H3.
What are the key properties of 2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone?
2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone has a molecular weight of 237.30 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 98015033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).