4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol

C15H25NO3 — CID 142636108

IUPAC4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol
SMILESCOCCNCCOc1cc(C)c(O)cc1C(C)C
InChIInChI=1S/C15H25NO3/c1-11(2)13-10-14(17)12(3)9-15(13)19-8-6-16-5-7-18-4/h9-11,16-17H,5-8H2,1-4H3
InChIKeyVZRIVEUNIZJEQI-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.44
Rot. Bonds8

About 4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol

4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol (PubChem CID 142636108) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol.

Molecular Properties

Compound Name4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol
PubChem CID142636108
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol
SMILESCOCCNCCOc1cc(C)c(O)cc1C(C)C
InChIInChI=1S/C15H25NO3/c1-11(2)13-10-14(17)12(3)9-15(13)19-8-6-16-5-7-18-4/h9-11,16-17H,5-8H2,1-4H3
InChIKeyVZRIVEUNIZJEQI-UHFFFAOYSA-N
XLogP2.44
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.44
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

2-methyl-5-[2-(methylamino)ethoxy]-4-propan-2-ylphenol
CID 70482477
2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride
CID 28092
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63517061
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 63516251
4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol
CID 70522413
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
CID 62584526
3-[[2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-(2-methoxyethyl)amino]methyl]-4-methoxy-2,5,6-trimethylphenol;hydrochloride
CID 22365014
4-(4-bromo-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 115402849
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62583039
4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol
CID 70417038
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120717841
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 102987264

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol?
The IUPAC name of 4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol (CID 142636108) is 4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol.
What is the SMILES notation for 4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol?
The canonical SMILES for 4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol is COCCNCCOc1cc(C)c(O)cc1C(C)C.
What is the InChIKey of 4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol?
The InChIKey is VZRIVEUNIZJEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)13-10-14(17)12(3)9-15(13)19-8-6-16-5-7-18-4/h9-11,16-17H,5-8H2,1-4H3.
What are the key properties of 4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol?
4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol has a molecular weight of 267.37 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol is sourced from PubChem (CID 142636108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).