2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol

C14H23NO4 — CID 62773797

IUPAC2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H23NO4/c1-14(16,10-15-7-8-17-2)11-5-6-12(18-3)13(9-11)19-4/h5-6,9,15-16H,7-8,10H2,1-4H3
InChIKeyYCUKAHOGNZOGAL-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.15
Rot. Bonds8

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

2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol (PubChem CID 62773797) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol
PubChem CID62773797
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H23NO4/c1-14(16,10-15-7-8-17-2)11-5-6-12(18-3)13(9-11)19-4/h5-6,9,15-16H,7-8,10H2,1-4H3
InChIKeyYCUKAHOGNZOGAL-UHFFFAOYSA-N
XLogP1.15
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62775363
1-(2-methoxyethylamino)-2-quinolin-7-ylpropan-2-ol
CID 81221998
2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol
CID 66037072
1-(2-methoxyethylamino)-2-pyrimidin-5-ylpropan-2-ol
CID 66038263
1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol
CID 102756270
2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 114607159
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197549
1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66038264
2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol
CID 116535938
2-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 103434611

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol (CID 62773797) is 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol is COCCNCC(C)(O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol?
The InChIKey is YCUKAHOGNZOGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(16,10-15-7-8-17-2)11-5-6-12(18-3)13(9-11)19-4/h5-6,9,15-16H,7-8,10H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol?
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol has a molecular weight of 269.34 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 62773797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).