2-amino-6-cyclobutyloxy-4-methoxybenzonitrile

C12H14N2O2 — CID 18470644

IUPAC2-amino-6-cyclobutyloxy-4-methoxybenzonitrile
SMILESCOc1cc(N)c(C#N)c(OC2CCC2)c1
InChIInChI=1S/C12H14N2O2/c1-15-9-5-11(14)10(7-13)12(6-9)16-8-3-2-4-8/h5-6,8H,2-4,14H2,1H3
InChIKeyQCGOGFLFJUVBPC-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.08
Rot. Bonds3

About 2-amino-6-cyclobutyloxy-4-methoxybenzonitrile

2-amino-6-cyclobutyloxy-4-methoxybenzonitrile (PubChem CID 18470644) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-amino-6-cyclobutyloxy-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-amino-6-cyclobutyloxy-4-methoxybenzonitrile
PubChem CID18470644
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-amino-6-cyclobutyloxy-4-methoxybenzonitrile
SMILESCOc1cc(N)c(C#N)c(OC2CCC2)c1
InChIInChI=1S/C12H14N2O2/c1-15-9-5-11(14)10(7-13)12(6-9)16-8-3-2-4-8/h5-6,8H,2-4,14H2,1H3
InChIKeyQCGOGFLFJUVBPC-UHFFFAOYSA-N
XLogP2.08
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-6-cyclobutyloxy-4-methoxybenzonitrile 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-amino-6-cyclobutyloxy-4-methoxybenzonitrile?
The IUPAC name of 2-amino-6-cyclobutyloxy-4-methoxybenzonitrile (CID 18470644) is 2-amino-6-cyclobutyloxy-4-methoxybenzonitrile.
What is the SMILES notation for 2-amino-6-cyclobutyloxy-4-methoxybenzonitrile?
The canonical SMILES for 2-amino-6-cyclobutyloxy-4-methoxybenzonitrile is COc1cc(N)c(C#N)c(OC2CCC2)c1.
What is the InChIKey of 2-amino-6-cyclobutyloxy-4-methoxybenzonitrile?
The InChIKey is QCGOGFLFJUVBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-9-5-11(14)10(7-13)12(6-9)16-8-3-2-4-8/h5-6,8H,2-4,14H2,1H3.
What are the key properties of 2-amino-6-cyclobutyloxy-4-methoxybenzonitrile?
2-amino-6-cyclobutyloxy-4-methoxybenzonitrile has a molecular weight of 218.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-cyclobutyloxy-4-methoxybenzonitrile is sourced from PubChem (CID 18470644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).