2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile

C14H19NO — CID 43367430

IUPAC2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile
SMILESCc1cc(OCC(C)C#N)ccc1C(C)C
InChIInChI=1S/C14H19NO/c1-10(2)14-6-5-13(7-12(14)4)16-9-11(3)8-15/h5-7,10-11H,9H2,1-4H3
InChIKeyJXRRNCXEYVZJAY-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.66
Rot. Bonds4

About 2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile

2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile (PubChem CID 43367430) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile
PubChem CID43367430
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile
SMILESCc1cc(OCC(C)C#N)ccc1C(C)C
InChIInChI=1S/C14H19NO/c1-10(2)14-6-5-13(7-12(14)4)16-9-11(3)8-15/h5-7,10-11H,9H2,1-4H3
InChIKeyJXRRNCXEYVZJAY-UHFFFAOYSA-N
XLogP3.66
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-methyl-4-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688342
2-[(3-methyl-4-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688246
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 43537580
(2S)-1-amino-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 9159080
3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920781
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 43188013
1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 3719845
1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine
CID 43097526
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-methylpropanenitrile
CID 43174896
3-(3-aminophenoxy)-2-methylpropanenitrile
CID 61036010
1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine
CID 63475949

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile?
The IUPAC name of 2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile (CID 43367430) is 2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile.
What is the SMILES notation for 2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile?
The canonical SMILES for 2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile is Cc1cc(OCC(C)C#N)ccc1C(C)C.
What is the InChIKey of 2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile?
The InChIKey is JXRRNCXEYVZJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)14-6-5-13(7-12(14)4)16-9-11(3)8-15/h5-7,10-11H,9H2,1-4H3.
What are the key properties of 2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile?
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile has a molecular weight of 217.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile is sourced from PubChem (CID 43367430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).