3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile

C15H22N2O — CID 116909931

IUPAC3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile
SMILESCOc1cc(C(C)C)ccc1C(CC#N)N(C)C
InChIInChI=1S/C15H22N2O/c1-11(2)12-6-7-13(15(10-12)18-5)14(8-9-16)17(3)4/h6-7,10-11,14H,8H2,1-5H3
InChIKeyNZGWRAXOOKRJEO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.33
Rot. Bonds5

About 3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile

3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile (PubChem CID 116909931) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile.

Molecular Properties

Compound Name3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile
PubChem CID116909931
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile
SMILESCOc1cc(C(C)C)ccc1C(CC#N)N(C)C
InChIInChI=1S/C15H22N2O/c1-11(2)12-6-7-13(15(10-12)18-5)14(8-9-16)17(3)4/h6-7,10-11,14H,8H2,1-5H3
InChIKeyNZGWRAXOOKRJEO-UHFFFAOYSA-N
XLogP3.33
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)propanenitrile
CID 116909895
2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 82481256
3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile
CID 116909948
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116911721
1-(2-methoxy-4-propan-2-ylphenyl)ethylhydrazine
CID 82470592
(2-methoxy-4-propan-2-ylphenyl)-(methylamino)methanethiol
CID 116954517
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile
CID 115129156
2-[2-(2-methoxy-4-propan-2-ylphenyl)ethylamino]acetonitrile
CID 115131233
2-methoxy-4-propan-2-ylbenzonitrile
CID 82490541
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
3-(3-ethoxy-4-methoxyphenyl)butanenitrile
CID 135293000

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile?
The IUPAC name of 3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile (CID 116909931) is 3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile.
What is the SMILES notation for 3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile?
The canonical SMILES for 3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile is COc1cc(C(C)C)ccc1C(CC#N)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile?
The InChIKey is NZGWRAXOOKRJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)12-6-7-13(15(10-12)18-5)14(8-9-16)17(3)4/h6-7,10-11,14H,8H2,1-5H3.
What are the key properties of 3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile?
3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile has a molecular weight of 246.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile is sourced from PubChem (CID 116909931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).