2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile

C13H18N2O2 — CID 114003061

IUPAC2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile
SMILESCOCCOCCNc1cccc(C)c1C#N
InChIInChI=1S/C13H18N2O2/c1-11-4-3-5-13(12(11)10-14)15-6-7-17-9-8-16-2/h3-5,15H,6-9H2,1-2H3
InChIKeyFIYOWSRZJVYJMP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.94
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile

2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile (PubChem CID 114003061) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile
PubChem CID114003061
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile
SMILESCOCCOCCNc1cccc(C)c1C#N
InChIInChI=1S/C13H18N2O2/c1-11-4-3-5-13(12(11)10-14)15-6-7-17-9-8-16-2/h3-5,15H,6-9H2,1-2H3
InChIKeyFIYOWSRZJVYJMP-UHFFFAOYSA-N
XLogP1.94
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-cyano-3-methylanilino)acetate
CID 107799414
2-methyl-6-(octylamino)benzonitrile
CID 107803295
N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline
CID 103178461
tert-butyl N-[2-(2-cyano-3-methylanilino)ethyl]carbamate
CID 107803681
2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide
CID 107804570
2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile
CID 107803576
2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile
CID 114880954
1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine
CID 114041355
2-chloro-6-[2-(2-methoxyethylamino)ethylamino]benzonitrile
CID 83030093
5-chloro-2-[2-(2-methoxyethoxy)ethylamino]benzonitrile
CID 62494859
3-methoxy-2-[2-(2-methoxyethoxy)ethylamino]benzonitrile
CID 107467475
3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline
CID 112752565

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile (CID 114003061) is 2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile is COCCOCCNc1cccc(C)c1C#N.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile?
The InChIKey is FIYOWSRZJVYJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-11-4-3-5-13(12(11)10-14)15-6-7-17-9-8-16-2/h3-5,15H,6-9H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile?
2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile has a molecular weight of 234.30 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile is sourced from PubChem (CID 114003061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).