4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile

C16H24N2O2 — CID 107709829

IUPAC4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile
SMILESCC(C)NC(C)(C#N)CCOc1ccc(CCO)cc1
InChIInChI=1S/C16H24N2O2/c1-13(2)18-16(3,12-17)9-11-20-15-6-4-14(5-7-15)8-10-19/h4-7,13,18-19H,8-11H2,1-3H3
InChIKeyLQJQISMCKDSXRE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.27
Rot. Bonds8

About 4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile

4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile (PubChem CID 107709829) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile
PubChem CID107709829
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile
SMILESCC(C)NC(C)(C#N)CCOc1ccc(CCO)cc1
InChIInChI=1S/C16H24N2O2/c1-13(2)18-16(3,12-17)9-11-20-15-6-4-14(5-7-15)8-10-19/h4-7,13,18-19H,8-11H2,1-3H3
InChIKeyLQJQISMCKDSXRE-UHFFFAOYSA-N
XLogP2.27
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile 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

3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile
CID 107709808
3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 107709862
2-(cyclopropylamino)-2-methyl-4-(4-propylphenoxy)butanenitrile
CID 62549087
4-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 107660383
4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 102983469
2,2-dimethyl-4-(4-propylphenoxy)butanenitrile
CID 65256549
6-(3,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 62786389
2-(ethylamino)-2-methyl-6-(4-propylphenoxy)hexanenitrile
CID 62548403
4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65251071
5-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)pentanamide
CID 107709955
4-(3-bromo-5-nitrophenoxy)-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 103589349
2,2-dimethyl-5-(4-propylphenoxy)pentanenitrile
CID 65257814

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile (CID 107709829) is 4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile is CC(C)NC(C)(C#N)CCOc1ccc(CCO)cc1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile?
The InChIKey is LQJQISMCKDSXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)18-16(3,12-17)9-11-20-15-6-4-14(5-7-15)8-10-19/h4-7,13,18-19H,8-11H2,1-3H3.
What are the key properties of 4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile?
4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile has a molecular weight of 276.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 107709829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).