2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile

C14H20N2O2 — CID 106446731

IUPAC2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile
SMILESCC(C)COCCOc1ccc(N)c(CC#N)c1
InChIInChI=1S/C14H20N2O2/c1-11(2)10-17-7-8-18-13-3-4-14(16)12(9-13)5-6-15/h3-4,9,11H,5,7-8,10,16H2,1-2H3
InChIKeyOYKUYCSFRQPUSM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.39
Rot. Bonds7

About 2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile

2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile (PubChem CID 106446731) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile
PubChem CID106446731
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile
SMILESCC(C)COCCOc1ccc(N)c(CC#N)c1
InChIInChI=1S/C14H20N2O2/c1-11(2)10-17-7-8-18-13-3-4-14(16)12(9-13)5-6-15/h3-4,9,11H,5,7-8,10,16H2,1-2H3
InChIKeyOYKUYCSFRQPUSM-UHFFFAOYSA-N
XLogP2.39
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile (CID 106446731) is 2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile is CC(C)COCCOc1ccc(N)c(CC#N)c1.
What is the InChIKey of 2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile?
The InChIKey is OYKUYCSFRQPUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(2)10-17-7-8-18-13-3-4-14(16)12(9-13)5-6-15/h3-4,9,11H,5,7-8,10,16H2,1-2H3.
What are the key properties of 2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile?
2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile has a molecular weight of 248.33 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[2-(2-methylpropoxy)ethoxy]phenyl]acetonitrile is sourced from PubChem (CID 106446731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).