3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile

C14H20N2O3 — CID 116909948

IUPAC3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile
SMILESCOc1cc(OC)c(C(CC#N)N(C)C)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-16(2)11(6-7-15)14-12(18-4)8-10(17-3)9-13(14)19-5/h8-9,11H,6H2,1-5H3
InChIKeyAPIQBKQSTIHOSB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.23
Rot. Bonds6

About 3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile

3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile (PubChem CID 116909948) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile.

Molecular Properties

Compound Name3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile
PubChem CID116909948
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile
SMILESCOc1cc(OC)c(C(CC#N)N(C)C)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-16(2)11(6-7-15)14-12(18-4)8-10(17-3)9-13(14)19-5/h8-9,11H,6H2,1-5H3
InChIKeyAPIQBKQSTIHOSB-UHFFFAOYSA-N
XLogP2.23
TPSA54.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile
CID 116909931
N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 116914648
3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)propanenitrile
CID 116909895
1-bromo-N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)methanamine
CID 116915081
2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile
CID 43344273
3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol
CID 116907711
3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile
CID 115231000
(3S)-3-piperazin-1-yl-3-(2,4,6-trimethoxyphenyl)propanenitrile;dihydrochloride
CID 171305888
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-(dimethylamino)propanenitrile
CID 116910004
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
2-(3-hydroxypropylamino)-2-(2,4,6-trimethoxyphenyl)acetonitrile
CID 62586256

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile?
The IUPAC name of 3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile (CID 116909948) is 3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile.
What is the SMILES notation for 3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile?
The canonical SMILES for 3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile is COc1cc(OC)c(C(CC#N)N(C)C)c(OC)c1.
What is the InChIKey of 3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile?
The InChIKey is APIQBKQSTIHOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(2)11(6-7-15)14-12(18-4)8-10(17-3)9-13(14)19-5/h8-9,11H,6H2,1-5H3.
What are the key properties of 3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile?
3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile has a molecular weight of 264.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile is sourced from PubChem (CID 116909948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).