2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile

C13H17NO — CID 65376186

IUPAC2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)Cc1ccccc1OC
InChIInChI=1S/C13H17NO/c1-4-13(2,10-14)9-11-7-5-6-8-12(11)15-3/h5-8H,4,9H2,1-3H3
InChIKeyKNBXRKZXVPLYTL-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.18
Rot. Bonds4

About 2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile

2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile (PubChem CID 65376186) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile
PubChem CID65376186
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)Cc1ccccc1OC
InChIInChI=1S/C13H17NO/c1-4-13(2,10-14)9-11-7-5-6-8-12(11)15-3/h5-8H,4,9H2,1-3H3
InChIKeyKNBXRKZXVPLYTL-UHFFFAOYSA-N
XLogP3.18
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 104795340
2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile
CID 174958896
1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene
CID 66036060
1-[2-(chloromethyl)-2-methylbut-3-enyl]-2-methoxybenzene
CID 102642148
2-[(3-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 65378065
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
2-N',2-N'-diethyl-1-(2-methoxyphenyl)propane-2,2-diamine
CID 84752665
N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62724934
1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene
CID 79446963
N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 81021747
2-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)-2-methylpropanenitrile
CID 61005584
(2-methoxyphenyl)methyl selenocyanate
CID 10331260

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile (CID 65376186) is 2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile is CCC(C)(C#N)Cc1ccccc1OC.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile?
The InChIKey is KNBXRKZXVPLYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-13(2,10-14)9-11-7-5-6-8-12(11)15-3/h5-8H,4,9H2,1-3H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile?
2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile has a molecular weight of 203.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile is sourced from PubChem (CID 65376186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).