4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile

C14H20N2O — CID 65251071

IUPAC4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCOc1ccc(CCN)cc1
InChIInChI=1S/C14H20N2O/c1-14(2,11-16)8-10-17-13-5-3-12(4-6-13)7-9-15/h3-6H,7-10,15H2,1-2H3
InChIKeyRYOMKFOSBHSVRW-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.51
Rot. Bonds6

About 4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile

4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile (PubChem CID 65251071) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile
PubChem CID65251071
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCOc1ccc(CCN)cc1
InChIInChI=1S/C14H20N2O/c1-14(2,11-16)8-10-17-13-5-3-12(4-6-13)7-9-15/h3-6H,7-10,15H2,1-2H3
InChIKeyRYOMKFOSBHSVRW-UHFFFAOYSA-N
XLogP2.51
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-(4-propylphenoxy)butanenitrile
CID 65256549
4-[4-(bromomethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65253458
4-[4-(cyanomethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65253649
4-[4-(chloromethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65253304
4-(4-chlorophenoxy)-2,2-dimethylbutanenitrile
CID 65251873
2,2-dimethyl-5-(4-propylphenoxy)pentanenitrile
CID 65257814
4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252741
4-[4-(3-hydroxyiminobutyl)phenoxy]-2,2-dimethylbutanenitrile
CID 77062862
4-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65252400
2,2-dimethyl-4-phenoxybutanenitrile
CID 65251813
6-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106710432
6-(4-aminophenoxy)-2,2-dimethylhexanenitrile
CID 106708279

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile (CID 65251071) is 4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile is CC(C)(C#N)CCOc1ccc(CCN)cc1.
What is the InChIKey of 4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile?
The InChIKey is RYOMKFOSBHSVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,11-16)8-10-17-13-5-3-12(4-6-13)7-9-15/h3-6H,7-10,15H2,1-2H3.
What are the key properties of 4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile?
4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65251071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).