4-[3-(4-aminophenoxy)propoxy]aniline

C15H18N2O2 — CID 572769

IUPAC4-[3-(4-aminophenoxy)propoxy]aniline
SMILESNc1ccc(OCCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2O2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-9H,1,10-11,16-17H2
InChIKeyKWFFEQXPFFDJER-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.70
Rot. Bonds6

About 4-[3-(4-aminophenoxy)propoxy]aniline

4-[3-(4-aminophenoxy)propoxy]aniline (PubChem CID 572769) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[3-(4-aminophenoxy)propoxy]aniline.

Molecular Properties

Compound Name4-[3-(4-aminophenoxy)propoxy]aniline
PubChem CID572769
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[3-(4-aminophenoxy)propoxy]aniline
SMILESNc1ccc(OCCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2O2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-9H,1,10-11,16-17H2
InChIKeyKWFFEQXPFFDJER-UHFFFAOYSA-N
XLogP2.70
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenoxy)propoxy]aniline?
The IUPAC name of 4-[3-(4-aminophenoxy)propoxy]aniline (CID 572769) is 4-[3-(4-aminophenoxy)propoxy]aniline.
What is the SMILES notation for 4-[3-(4-aminophenoxy)propoxy]aniline?
The canonical SMILES for 4-[3-(4-aminophenoxy)propoxy]aniline is Nc1ccc(OCCCOc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[3-(4-aminophenoxy)propoxy]aniline?
The InChIKey is KWFFEQXPFFDJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-9H,1,10-11,16-17H2.
What are the key properties of 4-[3-(4-aminophenoxy)propoxy]aniline?
4-[3-(4-aminophenoxy)propoxy]aniline has a molecular weight of 258.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenoxy)propoxy]aniline is sourced from PubChem (CID 572769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).