3-[3-(dimethylamino)phenoxy]propane-1,2-diol

C11H17NO3 — CID 3025574

IUPAC3-[3-(dimethylamino)phenoxy]propane-1,2-diol
SMILESCN(C)c1cccc(OCC(O)CO)c1
InChIInChI=1S/C11H17NO3/c1-12(2)9-4-3-5-11(6-9)15-8-10(14)7-13/h3-6,10,13-14H,7-8H2,1-2H3
InChIKeyHYSMJIAKWZNJCP-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.48
Rot. Bonds5

About 3-[3-(dimethylamino)phenoxy]propane-1,2-diol

3-[3-(dimethylamino)phenoxy]propane-1,2-diol (PubChem CID 3025574) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenoxy]propane-1,2-diol
PubChem CID3025574
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[3-(dimethylamino)phenoxy]propane-1,2-diol
SMILESCN(C)c1cccc(OCC(O)CO)c1
InChIInChI=1S/C11H17NO3/c1-12(2)9-4-3-5-11(6-9)15-8-10(14)7-13/h3-6,10,13-14H,7-8H2,1-2H3
InChIKeyHYSMJIAKWZNJCP-UHFFFAOYSA-N
XLogP0.48
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-Methoxy-N,N-dimethylbenzenamine
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N,N-Diethyl-m-anisidine
CID 66697
2-(3-Aminophenoxy)ethan-1-ol
CID 3944845
N,N-Dibutyl-3-methoxybenzenamine
CID 4068285
3,3'-((3-Hydroxyphenyl)azanediyl)bis(1-(4-methoxyphenoxy)propan-2-ol)
CID 16832748
(3-Acetyloxyphenyl)-dimethyl-prop-2-enylazanium bromide
CID 44301796
Trimethyl-[3-[4-[3-(trimethylazaniumyl)phenoxy]butoxy]phenyl]azanium diiodide
CID 44578514
3-(Dimethylamino)-5-(3-(3-(dimethylamino)-5-hydroxyphenoxy)propoxy)phenol
CID 15475986
1-(3-Methoxyphenyl)piperidine
CID 605725
1-Piperazineethanol, alpha-((3-aminophenoxy)methyl)-4-phenyl-
CID 99098

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenoxy]propane-1,2-diol?
The IUPAC name of 3-[3-(dimethylamino)phenoxy]propane-1,2-diol (CID 3025574) is 3-[3-(dimethylamino)phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[3-(dimethylamino)phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[3-(dimethylamino)phenoxy]propane-1,2-diol is CN(C)c1cccc(OCC(O)CO)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenoxy]propane-1,2-diol?
The InChIKey is HYSMJIAKWZNJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-12(2)9-4-3-5-11(6-9)15-8-10(14)7-13/h3-6,10,13-14H,7-8H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)phenoxy]propane-1,2-diol?
3-[3-(dimethylamino)phenoxy]propane-1,2-diol has a molecular weight of 211.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenoxy]propane-1,2-diol is sourced from PubChem (CID 3025574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).