4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile

C19H22N2O — CID 82137039

IUPAC4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile
SMILESCc1ccc(C(C#N)CCOc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C19H22N2O/c1-15-7-9-16(10-8-15)17(14-20)11-12-22-19-6-4-5-18(13-19)21(2)3/h4-10,13,17H,11-12H2,1-3H3
InChIKeyWKDRUMRVYVCQBI-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.14
Rot. Bonds6

About 4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile

4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile (PubChem CID 82137039) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile.

Molecular Properties

Compound Name4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile
PubChem CID82137039
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile
SMILESCc1ccc(C(C#N)CCOc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C19H22N2O/c1-15-7-9-16(10-8-15)17(14-20)11-12-22-19-6-4-5-18(13-19)21(2)3/h4-10,13,17H,11-12H2,1-3H3
InChIKeyWKDRUMRVYVCQBI-UHFFFAOYSA-N
XLogP4.14
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-ethylphenoxy)-2-(4-methylphenyl)butanenitrile
CID 82137019
2-(4-methoxyphenyl)-4-(3-methylphenoxy)butanenitrile
CID 82137627
3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile
CID 82141191
2-(3-methoxyphenyl)-4-(3-methylphenoxy)butanenitrile
CID 82137803
5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile
CID 112508200
3-[1-cyano-3-(3-methylphenoxy)propyl]benzonitrile
CID 82137699
6-(3-methylphenoxy)-2-phenylhexanenitrile
CID 82136903
4-(2-chloro-5-methylphenoxy)-2-(4-methylphenyl)butanenitrile
CID 82137047
2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile
CID 82137632
5-(3,5-dimethylphenoxy)-2-phenylpentanenitrile
CID 82136917
2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64809356
4-[3-(dimethylamino)phenoxy]-2-(pyrrolidine-1-carbonyl)butanenitrile
CID 82136808

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile?
The IUPAC name of 4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile (CID 82137039) is 4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile.
What is the SMILES notation for 4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile?
The canonical SMILES for 4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile is Cc1ccc(C(C#N)CCOc2cccc(N(C)C)c2)cc1.
What is the InChIKey of 4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile?
The InChIKey is WKDRUMRVYVCQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15-7-9-16(10-8-15)17(14-20)11-12-22-19-6-4-5-18(13-19)21(2)3/h4-10,13,17H,11-12H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile?
4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile has a molecular weight of 294.40 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile is sourced from PubChem (CID 82137039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).