3,5-bis(3-methylphenoxy)aniline

C20H19NO2 — CID 548631

IUPAC3,5-bis(3-methylphenoxy)aniline
SMILESCc1cccc(Oc2cc(N)cc(Oc3cccc(C)c3)c2)c1
InChIInChI=1S/C20H19NO2/c1-14-5-3-7-17(9-14)22-19-11-16(21)12-20(13-19)23-18-8-4-6-15(2)10-18/h3-13H,21H2,1-2H3
InChIKeyOOMWZLXBHDOBFI-UHFFFAOYSA-N
MW305.38 g/mol
LogP5.47
Rot. Bonds4

About 3,5-bis(3-methylphenoxy)aniline

3,5-bis(3-methylphenoxy)aniline (PubChem CID 548631) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3,5-bis(3-methylphenoxy)aniline.

Molecular Properties

Compound Name3,5-bis(3-methylphenoxy)aniline
PubChem CID548631
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3,5-bis(3-methylphenoxy)aniline
SMILESCc1cccc(Oc2cc(N)cc(Oc3cccc(C)c3)c2)c1
InChIInChI=1S/C20H19NO2/c1-14-5-3-7-17(9-14)22-19-11-16(21)12-20(13-19)23-18-8-4-6-15(2)10-18/h3-13H,21H2,1-2H3
InChIKeyOOMWZLXBHDOBFI-UHFFFAOYSA-N
XLogP5.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.47
H-Bond Donors ≤ 51
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 3,5-bis(3-methylphenoxy)aniline?
The IUPAC name of 3,5-bis(3-methylphenoxy)aniline (CID 548631) is 3,5-bis(3-methylphenoxy)aniline.
What is the SMILES notation for 3,5-bis(3-methylphenoxy)aniline?
The canonical SMILES for 3,5-bis(3-methylphenoxy)aniline is Cc1cccc(Oc2cc(N)cc(Oc3cccc(C)c3)c2)c1.
What is the InChIKey of 3,5-bis(3-methylphenoxy)aniline?
The InChIKey is OOMWZLXBHDOBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-14-5-3-7-17(9-14)22-19-11-16(21)12-20(13-19)23-18-8-4-6-15(2)10-18/h3-13H,21H2,1-2H3.
What are the key properties of 3,5-bis(3-methylphenoxy)aniline?
3,5-bis(3-methylphenoxy)aniline has a molecular weight of 305.38 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-methylphenoxy)aniline is sourced from PubChem (CID 548631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).