5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile

C13H18N2O2 — CID 112508200

IUPAC5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile
SMILESCN(C)c1cccc(OCCC(O)CC#N)c1
InChIInChI=1S/C13H18N2O2/c1-15(2)11-4-3-5-13(10-11)17-9-7-12(16)6-8-14/h3-5,10,12,16H,6-7,9H2,1-2H3
InChIKeyJVEFOEWEPWXQOV-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.80
Rot. Bonds6

About 5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile

5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile (PubChem CID 112508200) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile.

Molecular Properties

Compound Name5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile
PubChem CID112508200
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile
SMILESCN(C)c1cccc(OCCC(O)CC#N)c1
InChIInChI=1S/C13H18N2O2/c1-15(2)11-4-3-5-13(10-11)17-9-7-12(16)6-8-14/h3-5,10,12,16H,6-7,9H2,1-2H3
InChIKeyJVEFOEWEPWXQOV-UHFFFAOYSA-N
XLogP1.80
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64809356
4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile
CID 82137039
4-[3-(dimethylamino)phenoxy]-2-(pyrrolidine-1-carbonyl)butanenitrile
CID 82136808
4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol
CID 64809761
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64810584
3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline
CID 141496983
4-(3-ethoxyphenoxy)-3-hydroxybutanenitrile
CID 112507925
3-hydroxy-4-(3-methoxyphenoxy)butanenitrile
CID 13010437
3-hydroxy-3-[3-(2-methoxyethoxy)phenyl]propanenitrile
CID 67316257
ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate
CID 63040178
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile?
The IUPAC name of 5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile (CID 112508200) is 5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile.
What is the SMILES notation for 5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile?
The canonical SMILES for 5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile is CN(C)c1cccc(OCCC(O)CC#N)c1.
What is the InChIKey of 5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile?
The InChIKey is JVEFOEWEPWXQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(2)11-4-3-5-13(10-11)17-9-7-12(16)6-8-14/h3-5,10,12,16H,6-7,9H2,1-2H3.
What are the key properties of 5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile?
5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile has a molecular weight of 234.30 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile is sourced from PubChem (CID 112508200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).