2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile

C12H16N2O — CID 107931973

IUPAC2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile
SMILESCCNCCOc1ccc(C)cc1C#N
InChIInChI=1S/C12H16N2O/c1-3-14-6-7-15-12-5-4-10(2)8-11(12)9-13/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyVHFFKPIOUSZIIF-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.86
Rot. Bonds5

About 2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile

2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile (PubChem CID 107931973) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile
PubChem CID107931973
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile
SMILESCCNCCOc1ccc(C)cc1C#N
InChIInChI=1S/C12H16N2O/c1-3-14-6-7-15-12-5-4-10(2)8-11(12)9-13/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyVHFFKPIOUSZIIF-UHFFFAOYSA-N
XLogP1.86
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-ethylethanamine
CID 27186818
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
2-but-3-enoxy-5-methylbenzonitrile
CID 107928129
N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855008
4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62452410
2-(cyclopentylmethoxy)-5-methylbenzonitrile
CID 107928225
4-[3-(ethylamino)propoxy]-3-fluorobenzonitrile
CID 107667022
tert-butyl N-[2-(2-cyano-5-methylphenoxy)ethyl]carbamate
CID 166513843
N-[2-(2-bromo-4-methylphenoxy)ethyl]propan-1-amine
CID 29015180
5-methyl-2-[(2-methylpropan-2-yl)oxy]benzonitrile
CID 107928120
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070
5-bromo-2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]benzonitrile
CID 20987774

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile?
The IUPAC name of 2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile (CID 107931973) is 2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile.
What is the SMILES notation for 2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile?
The canonical SMILES for 2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile is CCNCCOc1ccc(C)cc1C#N.
What is the InChIKey of 2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile?
The InChIKey is VHFFKPIOUSZIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-14-6-7-15-12-5-4-10(2)8-11(12)9-13/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of 2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile?
2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile has a molecular weight of 204.27 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile is sourced from PubChem (CID 107931973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).