3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile

C14H20N2O2 — CID 107709808

IUPAC3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)COc1ccc(CCO)cc1
InChIInChI=1S/C14H20N2O2/c1-11(2)16-13(9-15)10-18-14-5-3-12(4-6-14)7-8-17/h3-6,11,13,16-17H,7-8,10H2,1-2H3
InChIKeyJQEVGKXVGSUPKO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.49
Rot. Bonds7

About 3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile

3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile (PubChem CID 107709808) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile
PubChem CID107709808
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)COc1ccc(CCO)cc1
InChIInChI=1S/C14H20N2O2/c1-11(2)16-13(9-15)10-18-14-5-3-12(4-6-14)7-8-17/h3-6,11,13,16-17H,7-8,10H2,1-2H3
InChIKeyJQEVGKXVGSUPKO-UHFFFAOYSA-N
XLogP1.49
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile
CID 107709832
4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 107709829
2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol
CID 69168508
2-[4-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107709363
4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63028231
(3S)-4-[4-(2-hydroxyethyl)phenoxy]-3-methylbutanamide
CID 123476714
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
4-[4-(hydroxymethyl)phenoxy]-2-(methylamino)butanenitrile
CID 63052980
2-[4-(methoxymethoxy)phenyl]ethanol
CID 16638841
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
3-(4-butan-2-ylphenoxy)-2-(methylamino)propanenitrile
CID 107667837
3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 107709862

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile (CID 107709808) is 3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)COc1ccc(CCO)cc1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile?
The InChIKey is JQEVGKXVGSUPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(2)16-13(9-15)10-18-14-5-3-12(4-6-14)7-8-17/h3-6,11,13,16-17H,7-8,10H2,1-2H3.
What are the key properties of 3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile?
3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile has a molecular weight of 248.33 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 107709808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).