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

C15H22N2O — CID 65252386

IUPAC4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile
SMILESCC(N)Cc1ccccc1OCCC(C)(C)C#N
InChIInChI=1S/C15H22N2O/c1-12(17)10-13-6-4-5-7-14(13)18-9-8-15(2,3)11-16/h4-7,12H,8-10,17H2,1-3H3
InChIKeyNYNRUMAKQRBGGI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.89
Rot. Bonds6

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

4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile (PubChem CID 65252386) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile
PubChem CID65252386
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile
SMILESCC(N)Cc1ccccc1OCCC(C)(C)C#N
InChIInChI=1S/C15H22N2O/c1-12(17)10-13-6-4-5-7-14(13)18-9-8-15(2,3)11-16/h4-7,12H,8-10,17H2,1-3H3
InChIKeyNYNRUMAKQRBGGI-UHFFFAOYSA-N
XLogP2.89
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile
CID 65251986
4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 112615925
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591165
2-[2-(2-aminopropyl)phenoxy]acetonitrile
CID 60907829
4-[4-(2-aminopropyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252752
4-(2-bromophenoxy)-2,2-dimethylbutanenitrile
CID 65253439
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064
4-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 65247062
2,2-dimethyl-4-phenoxybutanenitrile
CID 65251813
4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile
CID 65250280
1-[2-(4-phenylbutoxy)phenyl]propan-2-amine
CID 114334354
4-[2-(chloromethyl)-4-methylphenoxy]-2,2-dimethylbutanenitrile
CID 65253357

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile (CID 65252386) is 4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile is CC(N)Cc1ccccc1OCCC(C)(C)C#N.
What is the InChIKey of 4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile?
The InChIKey is NYNRUMAKQRBGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(17)10-13-6-4-5-7-14(13)18-9-8-15(2,3)11-16/h4-7,12H,8-10,17H2,1-3H3.
What are the key properties of 4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile?
4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile has a molecular weight of 246.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65252386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).