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

C12H16N2O — CID 107937029

IUPAC2-[2-(2-methoxyethylamino)ethyl]benzonitrile
SMILESCOCCNCCc1ccccc1C#N
InChIInChI=1S/C12H16N2O/c1-15-9-8-14-7-6-11-4-2-3-5-12(11)10-13/h2-5,14H,6-9H2,1H3
InChIKeyNQFMKZLTTOSVNX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.34
Rot. Bonds6

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

2-[2-(2-methoxyethylamino)ethyl]benzonitrile (PubChem CID 107937029) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[2-(2-methoxyethylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name2-[2-(2-methoxyethylamino)ethyl]benzonitrile
PubChem CID107937029
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[2-(2-methoxyethylamino)ethyl]benzonitrile
SMILESCOCCNCCc1ccccc1C#N
InChIInChI=1S/C12H16N2O/c1-15-9-8-14-7-6-11-4-2-3-5-12(11)10-13/h2-5,14H,6-9H2,1H3
InChIKeyNQFMKZLTTOSVNX-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

2-(2-ethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 64868119
2-[2-(tert-butylamino)ethyl]benzonitrile
CID 107937025
2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 106720568
4-[2-(2-methoxyethylamino)ethyl]benzonitrile
CID 64867913
2-(2-ethoxyethyl)benzonitrile
CID 134604790
2-(2,3-dichlorophenyl)-N-(2-methoxyethyl)ethanamine
CID 62800794
2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile
CID 39161264
2-[(cyanomethylamino)methyl]benzonitrile
CID 46942219
N-(2-methoxyethyl)-2-(4-phenylphenyl)ethanamine
CID 64866230
2-(2-cyanophenyl)ethyl formate
CID 87149714
2-[[2-(2,6-dimethylphenyl)ethylamino]methyl]benzonitrile
CID 143173601
2-[2-(4-methoxyphenyl)ethyl]benzonitrile
CID 70516707

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethylamino)ethyl]benzonitrile?
The IUPAC name of 2-[2-(2-methoxyethylamino)ethyl]benzonitrile (CID 107937029) is 2-[2-(2-methoxyethylamino)ethyl]benzonitrile.
What is the SMILES notation for 2-[2-(2-methoxyethylamino)ethyl]benzonitrile?
The canonical SMILES for 2-[2-(2-methoxyethylamino)ethyl]benzonitrile is COCCNCCc1ccccc1C#N.
What is the InChIKey of 2-[2-(2-methoxyethylamino)ethyl]benzonitrile?
The InChIKey is NQFMKZLTTOSVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-15-9-8-14-7-6-11-4-2-3-5-12(11)10-13/h2-5,14H,6-9H2,1H3.
What are the key properties of 2-[2-(2-methoxyethylamino)ethyl]benzonitrile?
2-[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 2-[2-(2-methoxyethylamino)ethyl]benzonitrile is sourced from PubChem (CID 107937029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).