3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile

C15H14N2O3 — CID 103566372

IUPAC3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile
SMILESCOc1cc(N)cc(Oc2cc(C#N)cc(OC)c2)c1
InChIInChI=1S/C15H14N2O3/c1-18-12-3-10(9-16)4-14(7-12)20-15-6-11(17)5-13(8-15)19-2/h3-8H,17H2,1-2H3
InChIKeyRQEPSJAZTWUPFT-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.95
Rot. Bonds4

About 3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile

3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile (PubChem CID 103566372) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile
PubChem CID103566372
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile
SMILESCOc1cc(N)cc(Oc2cc(C#N)cc(OC)c2)c1
InChIInChI=1S/C15H14N2O3/c1-18-12-3-10(9-16)4-14(7-12)20-15-6-11(17)5-13(8-15)19-2/h3-8H,17H2,1-2H3
InChIKeyRQEPSJAZTWUPFT-UHFFFAOYSA-N
XLogP2.95
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-amino-3-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566398
3-(4-amino-2-chlorophenoxy)-5-methoxybenzonitrile
CID 103566323
4-[3-amino-5-(4-methylphenoxy)phenoxy]benzonitrile
CID 90871272
3-[4-amino-3-(cyanomethyl)phenoxy]-5-methoxybenzonitrile
CID 103566390
3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103568404
4-(3-cyano-5-methoxyphenoxy)-2-methylbenzonitrile
CID 103566752
3-(2-amino-3-ethoxyphenoxy)-5-methoxybenzonitrile
CID 103566387
3-(2-amino-6-chlorophenoxy)-5-methoxybenzonitrile
CID 103566366
4-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103566581
3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile
CID 103566354
3-hydrazinyl-5-methoxybenzonitrile;hydrochloride
CID 175008309
3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103566343

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile?
The IUPAC name of 3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile (CID 103566372) is 3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile.
What is the SMILES notation for 3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile?
The canonical SMILES for 3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile is COc1cc(N)cc(Oc2cc(C#N)cc(OC)c2)c1.
What is the InChIKey of 3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile?
The InChIKey is RQEPSJAZTWUPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-18-12-3-10(9-16)4-14(7-12)20-15-6-11(17)5-13(8-15)19-2/h3-8H,17H2,1-2H3.
What are the key properties of 3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile?
3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile has a molecular weight of 270.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile is sourced from PubChem (CID 103566372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).