2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile

C14H17NO — CID 116842005

IUPAC2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile
SMILESCCc1ccc(OC)c(C2CC2(C)C#N)c1
InChIInChI=1S/C14H17NO/c1-4-10-5-6-13(16-3)11(7-10)12-8-14(12,2)9-15/h5-7,12H,4,8H2,1-3H3
InChIKeyCZRWTQPCEBHSHF-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.27
Rot. Bonds3

About 2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile

2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile (PubChem CID 116842005) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile
PubChem CID116842005
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile
SMILESCCc1ccc(OC)c(C2CC2(C)C#N)c1
InChIInChI=1S/C14H17NO/c1-4-10-5-6-13(16-3)11(7-10)12-8-14(12,2)9-15/h5-7,12H,4,8H2,1-3H3
InChIKeyCZRWTQPCEBHSHF-UHFFFAOYSA-N
XLogP3.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116842028
2-(5-ethyl-2-methoxyphenyl)cyclopropan-1-amine
CID 82468880
1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837091
2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116841983
5-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpentanenitrile
CID 103866440
3-[(5-ethyl-2-methoxyphenyl)methyl]oxetane-3-carbonitrile
CID 116929960
2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile
CID 107667870
1-(5-ethyl-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3938747
2-(5-ethyl-2-methoxyphenyl)-6-methylmorpholine
CID 82291256
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-(bromomethyl)-4-ethyl-1-methoxybenzene
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2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile?
The IUPAC name of 2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile (CID 116842005) is 2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile?
The canonical SMILES for 2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile is CCc1ccc(OC)c(C2CC2(C)C#N)c1.
What is the InChIKey of 2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile?
The InChIKey is CZRWTQPCEBHSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-10-5-6-13(16-3)11(7-10)12-8-14(12,2)9-15/h5-7,12H,4,8H2,1-3H3.
What are the key properties of 2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile?
2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile is sourced from PubChem (CID 116842005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).