1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone

C13H19NO3 — CID 117347105

IUPAC1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C(C)C)cc(OC)c1O
InChIInChI=1S/C13H19NO3/c1-8(2)9-5-10(11(15)7-14-3)13(16)12(6-9)17-4/h5-6,8,14,16H,7H2,1-4H3
InChIKeySZTVBRQYLKALRO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.93
Rot. Bonds5

About 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone

1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone (PubChem CID 117347105) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
PubChem CID117347105
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C(C)C)cc(OC)c1O
InChIInChI=1S/C13H19NO3/c1-8(2)9-5-10(11(15)7-14-3)13(16)12(6-9)17-4/h5-6,8,14,16H,7H2,1-4H3
InChIKeySZTVBRQYLKALRO-UHFFFAOYSA-N
XLogP1.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117381796
1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
1-[5-(difluoromethyl)-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117330012
ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate
CID 117419486
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-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone
CID 84713744
3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117384048
1-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117391080
1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone
CID 98784318
1-(2-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464837
1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone
CID 84810199

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone (CID 117347105) is 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(C(C)C)cc(OC)c1O.
What is the InChIKey of 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone?
The InChIKey is SZTVBRQYLKALRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8(2)9-5-10(11(15)7-14-3)13(16)12(6-9)17-4/h5-6,8,14,16H,7H2,1-4H3.
What are the key properties of 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone?
1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone has a molecular weight of 237.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117347105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).