4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile

C15H22N2O2 — CID 112509256

IUPAC4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile
SMILESCOc1ccc(CCC(C)(C#N)N(C)C)c(OC)c1
InChIInChI=1S/C15H22N2O2/c1-15(11-16,17(2)3)9-8-12-6-7-13(18-4)10-14(12)19-5/h6-7,10H,8-9H2,1-5H3
InChIKeyPOHZHDXKXRZIOE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.48
Rot. Bonds6

About 4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile

4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile (PubChem CID 112509256) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile
PubChem CID112509256
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile
SMILESCOc1ccc(CCC(C)(C#N)N(C)C)c(OC)c1
InChIInChI=1S/C15H22N2O2/c1-15(11-16,17(2)3)9-8-12-6-7-13(18-4)10-14(12)19-5/h6-7,10H,8-9H2,1-5H3
InChIKeyPOHZHDXKXRZIOE-UHFFFAOYSA-N
XLogP2.48
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 115137127
(2S)-2-amino-3-(2,4-dimethoxyphenyl)-2-methylpropanenitrile;hydrochloride
CID 141395494
2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 47230621
1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129677
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine
CID 117044148
4-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252238
2-cyano-3-(2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 82131291
4-(2,4-dimethoxyanilino)-2,2-dimethylbutanenitrile
CID 65247502
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
CID 175463366

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile (CID 112509256) is 4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile is COc1ccc(CCC(C)(C#N)N(C)C)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile?
The InChIKey is POHZHDXKXRZIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(11-16,17(2)3)9-8-12-6-7-13(18-4)10-14(12)19-5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile?
4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile has a molecular weight of 262.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutanenitrile is sourced from PubChem (CID 112509256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).