bis(4-methylaniline);3-methylphenol

C21H26N2O — CID 144604707

IUPACbis(4-methylaniline);3-methylphenol
SMILESCc1ccc(N)cc1.Cc1ccc(N)cc1.Cc1cccc(O)c1
InChIInChI=1S/2C7H9N.C7H8O/c2*1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6/h2*2-5H,8H2,1H3;2-5,8H,1H3
InChIKeyOFMZCOVGGDPTLO-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.86
Rot. Bonds

About bis(4-methylaniline);3-methylphenol

bis(4-methylaniline);3-methylphenol (PubChem CID 144604707) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is bis(4-methylaniline);3-methylphenol.

Molecular Properties

Compound Namebis(4-methylaniline);3-methylphenol
PubChem CID144604707
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Namebis(4-methylaniline);3-methylphenol
SMILESCc1ccc(N)cc1.Cc1ccc(N)cc1.Cc1cccc(O)c1
InChIInChI=1S/2C7H9N.C7H8O/c2*1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6/h2*2-5H,8H2,1H3;2-5,8H,1H3
InChIKeyOFMZCOVGGDPTLO-UHFFFAOYSA-N
XLogP4.86
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 bis(4-methylaniline);3-methylphenol?
The IUPAC name of bis(4-methylaniline);3-methylphenol (CID 144604707) is bis(4-methylaniline);3-methylphenol.
What is the SMILES notation for bis(4-methylaniline);3-methylphenol?
The canonical SMILES for bis(4-methylaniline);3-methylphenol is Cc1ccc(N)cc1.Cc1ccc(N)cc1.Cc1cccc(O)c1.
What is the InChIKey of bis(4-methylaniline);3-methylphenol?
The InChIKey is OFMZCOVGGDPTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9N.C7H8O/c2*1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6/h2*2-5H,8H2,1H3;2-5,8H,1H3.
What are the key properties of bis(4-methylaniline);3-methylphenol?
bis(4-methylaniline);3-methylphenol has a molecular weight of 322.45 g/mol, XLogP of 4.86, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylaniline);3-methylphenol is sourced from PubChem (CID 144604707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).