3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride

C18H17ClN2O2 — CID 6456511

IUPAC3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride
SMILESCl.Nc1ccc(Oc2cc(N)cc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C18H16N2O2.ClH/c19-13-6-8-16(9-7-13)22-18-11-14(20)10-17(12-18)21-15-4-2-1-3-5-15;/h1-12H,19-20H2;1H
InChIKeyMIIFMUKIKSWWKP-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.86
Rot. Bonds4

About 3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride

3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride (PubChem CID 6456511) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride.

Molecular Properties

Compound Name3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride
PubChem CID6456511
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride
SMILESCl.Nc1ccc(Oc2cc(N)cc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C18H16N2O2.ClH/c19-13-6-8-16(9-7-13)22-18-11-14(20)10-17(12-18)21-15-4-2-1-3-5-15;/h1-12H,19-20H2;1H
InChIKeyMIIFMUKIKSWWKP-UHFFFAOYSA-N
XLogP4.86
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.86
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride?
The IUPAC name of 3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride (CID 6456511) is 3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride.
What is the SMILES notation for 3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride?
The canonical SMILES for 3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride is Cl.Nc1ccc(Oc2cc(N)cc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride?
The InChIKey is MIIFMUKIKSWWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2.ClH/c19-13-6-8-16(9-7-13)22-18-11-14(20)10-17(12-18)21-15-4-2-1-3-5-15;/h1-12H,19-20H2;1H.
What are the key properties of 3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride?
3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-5-phenoxyaniline;hydrochloride is sourced from PubChem (CID 6456511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).