2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile

C15H19NO — CID 116841983

IUPAC2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
SMILESCOc1ccc(C2CC2(C)C#N)cc1C(C)C
InChIInChI=1S/C15H19NO/c1-10(2)12-7-11(5-6-14(12)17-4)13-8-15(13,3)9-16/h5-7,10,13H,8H2,1-4H3
InChIKeyJKIKJMLNCLBNEU-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.84
Rot. Bonds3

About 2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile

2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile (PubChem CID 116841983) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
PubChem CID116841983
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
SMILESCOc1ccc(C2CC2(C)C#N)cc1C(C)C
InChIInChI=1S/C15H19NO/c1-10(2)12-7-11(5-6-14(12)17-4)13-8-15(13,3)9-16/h5-7,10,13H,8H2,1-4H3
InChIKeyJKIKJMLNCLBNEU-UHFFFAOYSA-N
XLogP3.84
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile 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

5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine
CID 82302394
2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116842005
4-[(4-methoxy-3-propan-2-ylphenyl)methylamino]butanenitrile
CID 115231672
2-(4-butan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116841976
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
5-(4-methoxy-3-propan-2-ylphenyl)-2-methylmorpholine
CID 82297024
1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842284
3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one
CID 82129055
4-(4-methoxy-3-propan-2-ylphenyl)azepane
CID 82296013
2-[(4-methoxy-3-propan-2-ylphenyl)methyl]butanenitrile
CID 116931503
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842299
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001396

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile?
The IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile (CID 116841983) is 2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile?
The canonical SMILES for 2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile is COc1ccc(C2CC2(C)C#N)cc1C(C)C.
What is the InChIKey of 2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile?
The InChIKey is JKIKJMLNCLBNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10(2)12-7-11(5-6-14(12)17-4)13-8-15(13,3)9-16/h5-7,10,13H,8H2,1-4H3.
What are the key properties of 2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile?
2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile has a molecular weight of 229.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile is sourced from PubChem (CID 116841983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).