2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol

C15H25NO3 — CID 103434611

IUPAC2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C15H25NO3/c1-11-6-7-13(14(19-5)12(11)2)15(3,17)10-16-8-9-18-4/h6-7,16-17H,8-10H2,1-5H3
InChIKeySRFKSBLLBBVQLX-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.76
Rot. Bonds7

About 2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol

2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol (PubChem CID 103434611) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol
PubChem CID103434611
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C15H25NO3/c1-11-6-7-13(14(19-5)12(11)2)15(3,17)10-16-8-9-18-4/h6-7,16-17H,8-10H2,1-5H3
InChIKeySRFKSBLLBBVQLX-UHFFFAOYSA-N
XLogP1.76
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.76
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-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol
CID 102756270
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62773797
1-tert-butyl-2-methoxy-3,4-dimethylbenzene;propane;hydrate
CID 176957976
2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol
CID 81148071
2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62774391
1-(2-methoxyethylamino)-2-pyrimidin-5-ylpropan-2-ol
CID 66038263
1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62775363
2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-1-phenylethanol
CID 103465435
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate
CID 103434200
3-(2,3-dimethoxy-4-methylphenyl)-3-hydroxybutanoic acid
CID 12617565
2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine
CID 62596589

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol (CID 103434611) is 2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol is COCCNCC(C)(O)c1ccc(C)c(C)c1OC.
What is the InChIKey of 2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol?
The InChIKey is SRFKSBLLBBVQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-6-7-13(14(19-5)12(11)2)15(3,17)10-16-8-9-18-4/h6-7,16-17H,8-10H2,1-5H3.
What are the key properties of 2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol?
2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 103434611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).