2-(diethylamino)phenol;phenol

C16H21NO2 — CID 174799209

IUPAC2-(diethylamino)phenol;phenol
SMILESCCN(CC)c1ccccc1O.Oc1ccccc1
InChIInChI=1S/C10H15NO.C6H6O/c1-3-11(4-2)9-7-5-6-8-10(9)12;7-6-4-2-1-3-5-6/h5-8,12H,3-4H2,1-2H3;1-5,7H
InChIKeyRNVOHMRHBFWJLZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.63
Rot. Bonds3

About 2-(diethylamino)phenol;phenol

2-(diethylamino)phenol;phenol (PubChem CID 174799209) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(diethylamino)phenol;phenol.

Molecular Properties

Compound Name2-(diethylamino)phenol;phenol
PubChem CID174799209
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(diethylamino)phenol;phenol
SMILESCCN(CC)c1ccccc1O.Oc1ccccc1
InChIInChI=1S/C10H15NO.C6H6O/c1-3-11(4-2)9-7-5-6-8-10(9)12;7-6-4-2-1-3-5-6/h5-8,12H,3-4H2,1-2H3;1-5,7H
InChIKeyRNVOHMRHBFWJLZ-UHFFFAOYSA-N
XLogP3.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(diethylamino)phenol;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

sodium;2-(diethylamino)phenol;tetraphenylboranuide
CID 174902980
benzene;phenol;propane
CID 157176896
methanol;phenol;propane
CID 91268562
2-[2-(diethylamino)phenyl]-N,N-diethylaniline
CID 158417392
ethane;ethanol;phenol
CID 90945596
ethane;ethanol;phenol
CID 90921217
2-(dioctadecylamino)phenol
CID 67178725
ethane;phenol
CID 161156308
2-[dimethyl(phenyl)silyl]-N,N-diethylaniline
CID 86066559
N,N-diethyl-2-triphenylstannylaniline
CID 159469705
bis(1,1'-biphenyl);ethane;phenol;propane
CID 159973913
dodecane;phenol
CID 157210063

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)phenol;phenol?
The IUPAC name of 2-(diethylamino)phenol;phenol (CID 174799209) is 2-(diethylamino)phenol;phenol.
What is the SMILES notation for 2-(diethylamino)phenol;phenol?
The canonical SMILES for 2-(diethylamino)phenol;phenol is CCN(CC)c1ccccc1O.Oc1ccccc1.
What is the InChIKey of 2-(diethylamino)phenol;phenol?
The InChIKey is RNVOHMRHBFWJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C6H6O/c1-3-11(4-2)9-7-5-6-8-10(9)12;7-6-4-2-1-3-5-6/h5-8,12H,3-4H2,1-2H3;1-5,7H.
What are the key properties of 2-(diethylamino)phenol;phenol?
2-(diethylamino)phenol;phenol has a molecular weight of 259.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)phenol;phenol is sourced from PubChem (CID 174799209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).