2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile

C14H17NO — CID 116841836

IUPAC2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile
SMILESCCc1cc(C2(C)CC2C#N)ccc1OC
InChIInChI=1S/C14H17NO/c1-4-10-7-11(5-6-13(10)16-3)14(2)8-12(14)9-15/h5-7,12H,4,8H2,1-3H3
InChIKeyJBRCHGUMQPUGTO-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.06
Rot. Bonds3

About 2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile

2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile (PubChem CID 116841836) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile
PubChem CID116841836
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile
SMILESCCc1cc(C2(C)CC2C#N)ccc1OC
InChIInChI=1S/C14H17NO/c1-4-10-7-11(5-6-13(10)16-3)14(2)8-12(14)9-15/h5-7,12H,4,8H2,1-3H3
InChIKeyJBRCHGUMQPUGTO-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-ethyl-4-methoxyphenyl)-2-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

1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
CID 82281442
2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile
CID 116841871
methyl 1-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carboxylate
CID 116842963
3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane
CID 116864041
2-ethyl-4-(1-isocyanatocyclopentyl)-1-methoxybenzene
CID 82085813
4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene
CID 82092119
2-(3-ethyl-4-methoxyanilino)acetonitrile
CID 115130737
[4-(3-ethyl-4-methoxyphenyl)piperidin-4-yl]methanol
CID 82480668
2-(3,4-dimethoxyphenyl)-2-methylcyclopropan-1-amine
CID 62387494
[4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82091322
2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116842005
2-[(3-ethyl-4-methoxyphenyl)methylamino]acetonitrile
CID 115130978

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile?
The IUPAC name of 2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile (CID 116841836) is 2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile?
The canonical SMILES for 2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile is CCc1cc(C2(C)CC2C#N)ccc1OC.
What is the InChIKey of 2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile?
The InChIKey is JBRCHGUMQPUGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-10-7-11(5-6-13(10)16-3)14(2)8-12(14)9-15/h5-7,12H,4,8H2,1-3H3.
What are the key properties of 2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile?
2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile is sourced from PubChem (CID 116841836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).