5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol

C15H25NO2 — CID 104582004

IUPAC5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol
SMILESCc1ccc(C(C)NCCOCC(C)C)c(O)c1
InChIInChI=1S/C15H25NO2/c1-11(2)10-18-8-7-16-13(4)14-6-5-12(3)9-15(14)17/h5-6,9,11,13,16-17H,7-8,10H2,1-4H3
InChIKeyJRKNKMBBFOOGPX-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.02
Rot. Bonds7

About 5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol

5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol (PubChem CID 104582004) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol
PubChem CID104582004
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol
SMILESCc1ccc(C(C)NCCOCC(C)C)c(O)c1
InChIInChI=1S/C15H25NO2/c1-11(2)10-18-8-7-16-13(4)14-6-5-12(3)9-15(14)17/h5-6,9,11,13,16-17H,7-8,10H2,1-4H3
InChIKeyJRKNKMBBFOOGPX-UHFFFAOYSA-N
XLogP3.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.02
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'}

Analyze 5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol 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

5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol
CID 43205853
2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol
CID 43205159
2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol
CID 104582144
2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol
CID 43590909
N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine
CID 43105785
2-[1-(4-aminobutylamino)ethyl]-5-methylphenol
CID 60895616
2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol
CID 107303108
3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide
CID 43553192
2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
CID 61169320
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methylphenol
CID 104582213
5-methyl-2-[1-(6-methylsulfanylhexylamino)ethyl]phenol
CID 104584212
2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid
CID 43135042

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol?
The IUPAC name of 5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol (CID 104582004) is 5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol.
What is the SMILES notation for 5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol?
The canonical SMILES for 5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol is Cc1ccc(C(C)NCCOCC(C)C)c(O)c1.
What is the InChIKey of 5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol?
The InChIKey is JRKNKMBBFOOGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)10-18-8-7-16-13(4)14-6-5-12(3)9-15(14)17/h5-6,9,11,13,16-17H,7-8,10H2,1-4H3.
What are the key properties of 5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol?
5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol has a molecular weight of 251.37 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol is sourced from PubChem (CID 104582004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).