4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine

C18H15FN2O — CID 19971380

IUPAC4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine
SMILESNc1ccc(Oc2ccc(-c3ccc(F)cc3)cc2)c(N)c1
InChIInChI=1S/C18H15FN2O/c19-14-5-1-12(2-6-14)13-3-8-16(9-4-13)22-18-10-7-15(20)11-17(18)21/h1-11H,20-21H2
InChIKeySNYGPAIBUYKLEC-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.45
Rot. Bonds3

About 4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine

4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine (PubChem CID 19971380) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine
PubChem CID19971380
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine
SMILESNc1ccc(Oc2ccc(-c3ccc(F)cc3)cc2)c(N)c1
InChIInChI=1S/C18H15FN2O/c19-14-5-1-12(2-6-14)13-3-8-16(9-4-13)22-18-10-7-15(20)11-17(18)21/h1-11H,20-21H2
InChIKeySNYGPAIBUYKLEC-UHFFFAOYSA-N
XLogP4.45
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine?
The IUPAC name of 4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine (CID 19971380) is 4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine?
The canonical SMILES for 4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine is Nc1ccc(Oc2ccc(-c3ccc(F)cc3)cc2)c(N)c1.
What is the InChIKey of 4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine?
The InChIKey is SNYGPAIBUYKLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-14-5-1-12(2-6-14)13-3-8-16(9-4-13)22-18-10-7-15(20)11-17(18)21/h1-11H,20-21H2.
What are the key properties of 4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine?
4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine has a molecular weight of 294.33 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)phenoxy]benzene-1,3-diamine is sourced from PubChem (CID 19971380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).