3-(3-phenoxyphenoxy)aniline

C18H15NO2 — CID 68727404

IUPAC3-(3-phenoxyphenoxy)aniline
SMILESNc1cccc(Oc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C18H15NO2/c19-14-6-4-9-16(12-14)21-18-11-5-10-17(13-18)20-15-7-2-1-3-8-15/h1-13H,19H2
InChIKeyXTQVJQUJYMUHAF-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.85
Rot. Bonds4

About 3-(3-phenoxyphenoxy)aniline

3-(3-phenoxyphenoxy)aniline (PubChem CID 68727404) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(3-phenoxyphenoxy)aniline.

Molecular Properties

Compound Name3-(3-phenoxyphenoxy)aniline
PubChem CID68727404
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3-(3-phenoxyphenoxy)aniline
SMILESNc1cccc(Oc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C18H15NO2/c19-14-6-4-9-16(12-14)21-18-11-5-10-17(13-18)20-15-7-2-1-3-8-15/h1-13H,19H2
InChIKeyXTQVJQUJYMUHAF-UHFFFAOYSA-N
XLogP4.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-methylaniline;1-methyl-3-phenoxybenzene
CID 144834027
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
3-(4-aminophenoxy)-5-phenoxyaniline
CID 686776
3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline
CID 18381163

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxyphenoxy)aniline?
The IUPAC name of 3-(3-phenoxyphenoxy)aniline (CID 68727404) is 3-(3-phenoxyphenoxy)aniline.
What is the SMILES notation for 3-(3-phenoxyphenoxy)aniline?
The canonical SMILES for 3-(3-phenoxyphenoxy)aniline is Nc1cccc(Oc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of 3-(3-phenoxyphenoxy)aniline?
The InChIKey is XTQVJQUJYMUHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c19-14-6-4-9-16(12-14)21-18-11-5-10-17(13-18)20-15-7-2-1-3-8-15/h1-13H,19H2.
What are the key properties of 3-(3-phenoxyphenoxy)aniline?
3-(3-phenoxyphenoxy)aniline has a molecular weight of 277.32 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxyphenoxy)aniline is sourced from PubChem (CID 68727404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).