2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile

C12H16N2O2 — CID 62499274

IUPAC2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(NCCOCCO)c1
InChIInChI=1S/C12H16N2O2/c1-10-2-3-11(9-13)12(8-10)14-4-6-16-7-5-15/h2-3,8,14-15H,4-7H2,1H3
InChIKeyCFNUALGWVAJRIT-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.29
Rot. Bonds6

About 2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile

2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile (PubChem CID 62499274) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile
PubChem CID62499274
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(NCCOCCO)c1
InChIInChI=1S/C12H16N2O2/c1-10-2-3-11(9-13)12(8-10)14-4-6-16-7-5-15/h2-3,8,14-15H,4-7H2,1H3
InChIKeyCFNUALGWVAJRIT-UHFFFAOYSA-N
XLogP1.29
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylbenzonitrile
CID 114127687
4-acetyl-2-[2-(2-hydroxyethoxy)ethylamino]benzonitrile
CID 133465882
3-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile
CID 62104657
2-[2-(3-hydroxypropylsulfanyl)ethylamino]-4-methylbenzonitrile
CID 106305976
2-chloro-4-[2-(2-hydroxyethoxy)ethylamino]benzonitrile
CID 61070703
4-methyl-2-(prop-2-ynylamino)benzonitrile
CID 62307299
2-(3-hydroxypropylamino)-5-methylbenzonitrile
CID 107927398
2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile
CID 62641602
4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile
CID 62313204
4-chloro-2-[2-(2-methylprop-2-enoxy)ethylamino]benzonitrile
CID 113258178
2-(2,2-dimethylbutylamino)-4-methylbenzonitrile
CID 103461763
2-(2-cyano-5-methylanilino)-N,N-dimethylethanesulfonamide
CID 106338578

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile (CID 62499274) is 2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile is Cc1ccc(C#N)c(NCCOCCO)c1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile?
The InChIKey is CFNUALGWVAJRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-10-2-3-11(9-13)12(8-10)14-4-6-16-7-5-15/h2-3,8,14-15H,4-7H2,1H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile?
2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile is sourced from PubChem (CID 62499274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).