2-(4-amino-3-methoxyphenoxy)benzonitrile

C14H12N2O2 — CID 63677591

IUPAC2-(4-amino-3-methoxyphenoxy)benzonitrile
SMILESCOc1cc(Oc2ccccc2C#N)ccc1N
InChIInChI=1S/C14H12N2O2/c1-17-14-8-11(6-7-12(14)16)18-13-5-3-2-4-10(13)9-15/h2-8H,16H2,1H3
InChIKeyBHOQDOSCYOFLEX-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.94
Rot. Bonds3

About 2-(4-amino-3-methoxyphenoxy)benzonitrile

2-(4-amino-3-methoxyphenoxy)benzonitrile (PubChem CID 63677591) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(4-amino-3-methoxyphenoxy)benzonitrile.

Molecular Properties

Compound Name2-(4-amino-3-methoxyphenoxy)benzonitrile
PubChem CID63677591
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(4-amino-3-methoxyphenoxy)benzonitrile
SMILESCOc1cc(Oc2ccccc2C#N)ccc1N
InChIInChI=1S/C14H12N2O2/c1-17-14-8-11(6-7-12(14)16)18-13-5-3-2-4-10(13)9-15/h2-8H,16H2,1H3
InChIKeyBHOQDOSCYOFLEX-UHFFFAOYSA-N
XLogP2.94
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methylphenoxy)benzonitrile
CID 43363961
3-(4-amino-3-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566398
2-methoxy-4-(2-propan-2-ylphenoxy)aniline
CID 55231972
2-(5-amino-2-methoxyphenoxy)benzonitrile
CID 43363978
ethyl 2-amino-5-(2-cyanophenoxy)benzoate
CID 61305610
4-(4-aminophenoxy)-2-methoxybenzonitrile
CID 89154865
2-amino-4-(2-cyanophenoxy)benzenesulfonamide
CID 79467163
4-amino-3-(2-methoxyphenoxy)benzonitrile
CID 113444296
4-(2,3-dimethylphenoxy)-2-methoxyaniline
CID 63677998
2-amino-3-(2-methoxyphenoxy)benzonitrile
CID 104717142
2-(3,4-difluorophenoxy)benzonitrile
CID 43429840
2-amino-5-(2-fluorophenoxy)benzonitrile
CID 115499740

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methoxyphenoxy)benzonitrile?
The IUPAC name of 2-(4-amino-3-methoxyphenoxy)benzonitrile (CID 63677591) is 2-(4-amino-3-methoxyphenoxy)benzonitrile.
What is the SMILES notation for 2-(4-amino-3-methoxyphenoxy)benzonitrile?
The canonical SMILES for 2-(4-amino-3-methoxyphenoxy)benzonitrile is COc1cc(Oc2ccccc2C#N)ccc1N.
What is the InChIKey of 2-(4-amino-3-methoxyphenoxy)benzonitrile?
The InChIKey is BHOQDOSCYOFLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-14-8-11(6-7-12(14)16)18-13-5-3-2-4-10(13)9-15/h2-8H,16H2,1H3.
What are the key properties of 2-(4-amino-3-methoxyphenoxy)benzonitrile?
2-(4-amino-3-methoxyphenoxy)benzonitrile has a molecular weight of 240.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methoxyphenoxy)benzonitrile is sourced from PubChem (CID 63677591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).