2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol

C16H27NO3 — CID 104582144

IUPAC2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol
SMILESCOCCOCCCCNC(C)c1ccc(C)cc1O
InChIInChI=1S/C16H27NO3/c1-13-6-7-15(16(18)12-13)14(2)17-8-4-5-9-20-11-10-19-3/h6-7,12,14,17-18H,4-5,8-11H2,1-3H3
InChIKeyRAZBGPDHKKMJLL-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.79
Rot. Bonds10

About 2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol

2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol (PubChem CID 104582144) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol
PubChem CID104582144
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol
SMILESCOCCOCCCCNC(C)c1ccc(C)cc1O
InChIInChI=1S/C16H27NO3/c1-13-6-7-15(16(18)12-13)14(2)17-8-4-5-9-20-11-10-19-3/h6-7,12,14,17-18H,4-5,8-11H2,1-3H3
InChIKeyRAZBGPDHKKMJLL-UHFFFAOYSA-N
XLogP2.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol
CID 43205159
5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol
CID 43205853
2-[1-(4-aminobutylamino)ethyl]-5-methylphenol
CID 60895616
2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol
CID 107303108
5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol
CID 104582004
5-methyl-2-[1-(6-methylsulfanylhexylamino)ethyl]phenol
CID 104584212
5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol
CID 107707175
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715357
5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol
CID 43205737
3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43770898
2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol
CID 104582510
3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide
CID 43553192

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol?
The IUPAC name of 2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol (CID 104582144) is 2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol is COCCOCCCCNC(C)c1ccc(C)cc1O.
What is the InChIKey of 2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol?
The InChIKey is RAZBGPDHKKMJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13-6-7-15(16(18)12-13)14(2)17-8-4-5-9-20-11-10-19-3/h6-7,12,14,17-18H,4-5,8-11H2,1-3H3.
What are the key properties of 2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol?
2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol has a molecular weight of 281.40 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol is sourced from PubChem (CID 104582144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).