2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile

C13H18N2O2 — CID 107713909

IUPAC2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile
SMILESCC(N)(C#N)CCOc1ccccc1CCO
InChIInChI=1S/C13H18N2O2/c1-13(15,10-14)7-9-17-12-5-3-2-4-11(12)6-8-16/h2-5,16H,6-9,15H2,1H3
InChIKeyHWCOMYHSTJHZIC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.23
Rot. Bonds6

About 2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile

2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile (PubChem CID 107713909) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile
PubChem CID107713909
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile
SMILESCC(N)(C#N)CCOc1ccccc1CCO
InChIInChI=1S/C13H18N2O2/c1-13(15,10-14)7-9-17-12-5-3-2-4-11(12)6-8-16/h2-5,16H,6-9,15H2,1H3
InChIKeyHWCOMYHSTJHZIC-UHFFFAOYSA-N
XLogP1.23
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-5-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
CID 107713923
2-[2-(4-methoxybutoxy)phenyl]ethanol
CID 107258154
2-[2-(3-aminopropoxy)phenyl]ethanol
CID 107712249
2-(2-pentoxyphenyl)ethanol
CID 91657515
4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile
CID 65251986
4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65252386
2-[2-(3-phenoxypropoxy)phenyl]ethanol
CID 107258184
methyl 5-[2-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate
CID 107714016
2-(2-but-2-ynoxyphenyl)ethanol
CID 107258140
4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361112
3-[2-(2-hydroxyethyl)phenoxy]-2-(methylamino)propanenitrile
CID 107713929
2-(ethylamino)-5-[2-(hydroxymethyl)phenoxy]-2-methylpentanenitrile
CID 63654501

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile?
The IUPAC name of 2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile (CID 107713909) is 2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile.
What is the SMILES notation for 2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile?
The canonical SMILES for 2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile is CC(N)(C#N)CCOc1ccccc1CCO.
What is the InChIKey of 2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile?
The InChIKey is HWCOMYHSTJHZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(15,10-14)7-9-17-12-5-3-2-4-11(12)6-8-16/h2-5,16H,6-9,15H2,1H3.
What are the key properties of 2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile?
2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile has a molecular weight of 234.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile is sourced from PubChem (CID 107713909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).