4-[2-(2-methoxyethylamino)ethyl]benzonitrile

C12H16N2O — CID 64867913

IUPAC4-[2-(2-methoxyethylamino)ethyl]benzonitrile
SMILESCOCCNCCc1ccc(C#N)cc1
InChIInChI=1S/C12H16N2O/c1-15-9-8-14-7-6-11-2-4-12(10-13)5-3-11/h2-5,14H,6-9H2,1H3
InChIKeyRVSZQJKHDDCHIR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.34
Rot. Bonds6

About 4-[2-(2-methoxyethylamino)ethyl]benzonitrile

4-[2-(2-methoxyethylamino)ethyl]benzonitrile (PubChem CID 64867913) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-[2-(2-methoxyethylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-methoxyethylamino)ethyl]benzonitrile
PubChem CID64867913
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-[2-(2-methoxyethylamino)ethyl]benzonitrile
SMILESCOCCNCCc1ccc(C#N)cc1
InChIInChI=1S/C12H16N2O/c1-15-9-8-14-7-6-11-2-4-12(10-13)5-3-11/h2-5,14H,6-9H2,1H3
InChIKeyRVSZQJKHDDCHIR-UHFFFAOYSA-N
XLogP1.34
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.34
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

N-(2-methoxyethyl)-2-(4-phenylphenyl)ethanamine
CID 64866230
4-[2-(methylamino)ethyl]benzonitrile;hydrochloride
CID 134690729
N-[2-(4-cyanophenyl)ethyl]formamide;ethane
CID 145433256
2-[2-(2-methoxyethylamino)ethyl]benzonitrile
CID 107937029
4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66403439
4-[2-(2-methoxyethoxy)ethoxymethyl]benzonitrile
CID 104561665
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 64867078
3-(4-ethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503762
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147
N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
CID 65300901
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethylamino)ethyl]benzonitrile?
The IUPAC name of 4-[2-(2-methoxyethylamino)ethyl]benzonitrile (CID 64867913) is 4-[2-(2-methoxyethylamino)ethyl]benzonitrile.
What is the SMILES notation for 4-[2-(2-methoxyethylamino)ethyl]benzonitrile?
The canonical SMILES for 4-[2-(2-methoxyethylamino)ethyl]benzonitrile is COCCNCCc1ccc(C#N)cc1.
What is the InChIKey of 4-[2-(2-methoxyethylamino)ethyl]benzonitrile?
The InChIKey is RVSZQJKHDDCHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-15-9-8-14-7-6-11-2-4-12(10-13)5-3-11/h2-5,14H,6-9H2,1H3.
What are the key properties of 4-[2-(2-methoxyethylamino)ethyl]benzonitrile?
4-[2-(2-methoxyethylamino)ethyl]benzonitrile has a molecular weight of 204.27 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethylamino)ethyl]benzonitrile is sourced from PubChem (CID 64867913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).