4-(4-aminophenoxy)-2-methoxybenzonitrile

C14H12N2O2 — CID 89154865

IUPAC4-(4-aminophenoxy)-2-methoxybenzonitrile
SMILESCOc1cc(Oc2ccc(N)cc2)ccc1C#N
InChIInChI=1S/C14H12N2O2/c1-17-14-8-13(5-2-10(14)9-15)18-12-6-3-11(16)4-7-12/h2-8H,16H2,1H3
InChIKeyPJNCMYNHDUMCLT-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.94
Rot. Bonds3

About 4-(4-aminophenoxy)-2-methoxybenzonitrile

4-(4-aminophenoxy)-2-methoxybenzonitrile (PubChem CID 89154865) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-(4-aminophenoxy)-2-methoxybenzonitrile
PubChem CID89154865
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-(4-aminophenoxy)-2-methoxybenzonitrile
SMILESCOc1cc(Oc2ccc(N)cc2)ccc1C#N
InChIInChI=1S/C14H12N2O2/c1-17-14-8-13(5-2-10(14)9-15)18-12-6-3-11(16)4-7-12/h2-8H,16H2,1H3
InChIKeyPJNCMYNHDUMCLT-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)-2-chlorobenzonitrile
CID 62945049
2-(4-amino-3-methoxyphenoxy)benzonitrile
CID 63677591
4-[4-[bis(4-aminophenyl)methyl]phenoxy]benzene-1,2-dicarbonitrile
CID 71379490
3-(4-amino-3-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566398
5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
CID 65341217
4-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenoxy]-2-methoxybenzonitrile
CID 53241215
2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile
CID 57402655
2-methoxy-4-propan-2-ylbenzonitrile
CID 82490541
2-(2-amino-4-chlorophenoxy)-4-methoxybenzonitrile
CID 81302575
2-(2-amino-5-chlorophenoxy)-4-methoxybenzonitrile
CID 81302576
4-methoxy-2-naphthalen-2-yloxybenzonitrile
CID 81297139
2-(5-amino-2-methoxyphenoxy)benzonitrile
CID 43363978

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-2-methoxybenzonitrile?
The IUPAC name of 4-(4-aminophenoxy)-2-methoxybenzonitrile (CID 89154865) is 4-(4-aminophenoxy)-2-methoxybenzonitrile.
What is the SMILES notation for 4-(4-aminophenoxy)-2-methoxybenzonitrile?
The canonical SMILES for 4-(4-aminophenoxy)-2-methoxybenzonitrile is COc1cc(Oc2ccc(N)cc2)ccc1C#N.
What is the InChIKey of 4-(4-aminophenoxy)-2-methoxybenzonitrile?
The InChIKey is PJNCMYNHDUMCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-14-8-13(5-2-10(14)9-15)18-12-6-3-11(16)4-7-12/h2-8H,16H2,1H3.
What are the key properties of 4-(4-aminophenoxy)-2-methoxybenzonitrile?
4-(4-aminophenoxy)-2-methoxybenzonitrile 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 4-(4-aminophenoxy)-2-methoxybenzonitrile is sourced from PubChem (CID 89154865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).