2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol

C15H25NO2 — CID 61169320

IUPAC2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
SMILESCCCCOCCNC(C)c1cc(C)ccc1O
InChIInChI=1S/C15H25NO2/c1-4-5-9-18-10-8-16-13(3)14-11-12(2)6-7-15(14)17/h6-7,11,13,16-17H,4-5,8-10H2,1-3H3
InChIKeyQTGPDZAMBYQGDE-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.17
Rot. Bonds8

About 2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol

2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol (PubChem CID 61169320) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
PubChem CID61169320
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
SMILESCCCCOCCNC(C)c1cc(C)ccc1O
InChIInChI=1S/C15H25NO2/c1-4-5-9-18-10-8-16-13(3)14-11-12(2)6-7-15(14)17/h6-7,11,13,16-17H,4-5,8-10H2,1-3H3
InChIKeyQTGPDZAMBYQGDE-UHFFFAOYSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol
CID 43590909
2-[1-(2-butoxyethylamino)ethyl]phenol
CID 61171435
2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol
CID 55259523
N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 61483064
(1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine
CID 81361060
4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
CID 104581681
methyl 4-[1-(2-hydroxy-5-methylphenyl)ethylamino]butanoate
CID 60782435
2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol
CID 104582175
5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol
CID 104582004
N-(2-butoxyethyl)-1-(2,5-dichlorophenyl)ethanamine
CID 61169291
2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol
CID 104582144
2-[2-[1-(2,5-dimethylphenyl)ethylamino]ethoxy]acetamide
CID 106235967

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol?
The IUPAC name of 2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol (CID 61169320) is 2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol is CCCCOCCNC(C)c1cc(C)ccc1O.
What is the InChIKey of 2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol?
The InChIKey is QTGPDZAMBYQGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-5-9-18-10-8-16-13(3)14-11-12(2)6-7-15(14)17/h6-7,11,13,16-17H,4-5,8-10H2,1-3H3.
What are the key properties of 2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol?
2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol has a molecular weight of 251.37 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol is sourced from PubChem (CID 61169320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).