1-[3-(diethylamino)phenoxy]propan-2-ol

C13H21NO2 — CID 22760892

IUPAC1-[3-(diethylamino)phenoxy]propan-2-ol
SMILESCCN(CC)c1cccc(OCC(C)O)c1
InChIInChI=1S/C13H21NO2/c1-4-14(5-2)12-7-6-8-13(9-12)16-10-11(3)15/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyNNUGJVGOTYHCRT-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.29
Rot. Bonds6

About 1-[3-(diethylamino)phenoxy]propan-2-ol

1-[3-(diethylamino)phenoxy]propan-2-ol (PubChem CID 22760892) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[3-(diethylamino)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[3-(diethylamino)phenoxy]propan-2-ol
PubChem CID22760892
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[3-(diethylamino)phenoxy]propan-2-ol
SMILESCCN(CC)c1cccc(OCC(C)O)c1
InChIInChI=1S/C13H21NO2/c1-4-14(5-2)12-7-6-8-13(9-12)16-10-11(3)15/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyNNUGJVGOTYHCRT-UHFFFAOYSA-N
XLogP2.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(diethylamino)phenoxy]propan-2-ol 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-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid
CID 65444187
(2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol
CID 175231435
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid
CID 43517019
N,N-diethyl-3-[2-(3-methylbutylamino)ethoxy]aniline
CID 62582853
1-[3-(2-aminoethoxy)phenoxy]propan-2-ol
CID 71018405
N,N-diethyl-3-[3-(methylamino)propoxy]aniline
CID 62584152
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
ethane;1-phenoxypropan-2-ol
CID 90926921
3-(2-hydroxypropoxy)benzonitrile
CID 54593211
(2S)-1-(3-benzylphenoxy)propan-2-ol
CID 121250409

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)phenoxy]propan-2-ol?
The IUPAC name of 1-[3-(diethylamino)phenoxy]propan-2-ol (CID 22760892) is 1-[3-(diethylamino)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[3-(diethylamino)phenoxy]propan-2-ol?
The canonical SMILES for 1-[3-(diethylamino)phenoxy]propan-2-ol is CCN(CC)c1cccc(OCC(C)O)c1.
What is the InChIKey of 1-[3-(diethylamino)phenoxy]propan-2-ol?
The InChIKey is NNUGJVGOTYHCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-14(5-2)12-7-6-8-13(9-12)16-10-11(3)15/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of 1-[3-(diethylamino)phenoxy]propan-2-ol?
1-[3-(diethylamino)phenoxy]propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)phenoxy]propan-2-ol is sourced from PubChem (CID 22760892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).