2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol

C13H21NO3 — CID 62774366

IUPAC2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1ccc(OC)cc1OC
InChIInChI=1S/C13H21NO3/c1-5-14-9-13(2,15)11-7-6-10(16-3)8-12(11)17-4/h6-8,14-15H,5,9H2,1-4H3
InChIKeyQTDUHACXPCRIKS-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.52
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol

2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol (PubChem CID 62774366) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol
PubChem CID62774366
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1ccc(OC)cc1OC
InChIInChI=1S/C13H21NO3/c1-5-14-9-13(2,15)11-7-6-10(16-3)8-12(11)17-4/h6-8,14-15H,5,9H2,1-4H3
InChIKeyQTDUHACXPCRIKS-UHFFFAOYSA-N
XLogP1.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate
CID 66322325
3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine
CID 81023243
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
3-(2,4-dimethoxyphenyl)-2-methylpentan-3-ol
CID 62801618
2-(2-ethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62773390
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448
1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol
CID 66039376
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246
N-ethyl-2-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 115005597
2-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol (CID 62774366) is 2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol is CCNCC(C)(O)c1ccc(OC)cc1OC.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol?
The InChIKey is QTDUHACXPCRIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-14-9-13(2,15)11-7-6-10(16-3)8-12(11)17-4/h6-8,14-15H,5,9H2,1-4H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol?
2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol has a molecular weight of 239.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol is sourced from PubChem (CID 62774366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).