2-[(dibutylamino)methyl]-6-methylphenol

C16H27NO — CID 559890

IUPAC2-[(dibutylamino)methyl]-6-methylphenol
SMILESCCCCN(CCCC)Cc1cccc(C)c1O
InChIInChI=1S/C16H27NO/c1-4-6-11-17(12-7-5-2)13-15-10-8-9-14(3)16(15)18/h8-10,18H,4-7,11-13H2,1-3H3
InChIKeyWQDYUDROTXKWQS-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.10
Rot. Bonds8

About 2-[(dibutylamino)methyl]-6-methylphenol

2-[(dibutylamino)methyl]-6-methylphenol (PubChem CID 559890) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[(dibutylamino)methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(dibutylamino)methyl]-6-methylphenol
PubChem CID559890
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[(dibutylamino)methyl]-6-methylphenol
SMILESCCCCN(CCCC)Cc1cccc(C)c1O
InChIInChI=1S/C16H27NO/c1-4-6-11-17(12-7-5-2)13-15-10-8-9-14(3)16(15)18/h8-10,18H,4-7,11-13H2,1-3H3
InChIKeyWQDYUDROTXKWQS-UHFFFAOYSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(dibutylamino)methyl]-6-methylphenol?
The IUPAC name of 2-[(dibutylamino)methyl]-6-methylphenol (CID 559890) is 2-[(dibutylamino)methyl]-6-methylphenol.
What is the SMILES notation for 2-[(dibutylamino)methyl]-6-methylphenol?
The canonical SMILES for 2-[(dibutylamino)methyl]-6-methylphenol is CCCCN(CCCC)Cc1cccc(C)c1O.
What is the InChIKey of 2-[(dibutylamino)methyl]-6-methylphenol?
The InChIKey is WQDYUDROTXKWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-6-11-17(12-7-5-2)13-15-10-8-9-14(3)16(15)18/h8-10,18H,4-7,11-13H2,1-3H3.
What are the key properties of 2-[(dibutylamino)methyl]-6-methylphenol?
2-[(dibutylamino)methyl]-6-methylphenol has a molecular weight of 249.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dibutylamino)methyl]-6-methylphenol is sourced from PubChem (CID 559890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).