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

C18H31NO — CID 3042760

IUPAC2-[(dipentylamino)methyl]-6-methylphenol
SMILESCCCCCN(CCCCC)Cc1cccc(C)c1O
InChIInChI=1S/C18H31NO/c1-4-6-8-13-19(14-9-7-5-2)15-17-12-10-11-16(3)18(17)20/h10-12,20H,4-9,13-15H2,1-3H3
InChIKeyHQUWDUAWOBSZLG-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.88
Rot. Bonds10

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

2-[(dipentylamino)methyl]-6-methylphenol (PubChem CID 3042760) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[(dipentylamino)methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(dipentylamino)methyl]-6-methylphenol
PubChem CID3042760
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[(dipentylamino)methyl]-6-methylphenol
SMILESCCCCCN(CCCCC)Cc1cccc(C)c1O
InChIInChI=1S/C18H31NO/c1-4-6-8-13-19(14-9-7-5-2)15-17-12-10-11-16(3)18(17)20/h10-12,20H,4-9,13-15H2,1-3H3
InChIKeyHQUWDUAWOBSZLG-UHFFFAOYSA-N
XLogP4.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(dipentylamino)methyl]-6-methylphenol?
The IUPAC name of 2-[(dipentylamino)methyl]-6-methylphenol (CID 3042760) is 2-[(dipentylamino)methyl]-6-methylphenol.
What is the SMILES notation for 2-[(dipentylamino)methyl]-6-methylphenol?
The canonical SMILES for 2-[(dipentylamino)methyl]-6-methylphenol is CCCCCN(CCCCC)Cc1cccc(C)c1O.
What is the InChIKey of 2-[(dipentylamino)methyl]-6-methylphenol?
The InChIKey is HQUWDUAWOBSZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-6-8-13-19(14-9-7-5-2)15-17-12-10-11-16(3)18(17)20/h10-12,20H,4-9,13-15H2,1-3H3.
What are the key properties of 2-[(dipentylamino)methyl]-6-methylphenol?
2-[(dipentylamino)methyl]-6-methylphenol has a molecular weight of 277.45 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dipentylamino)methyl]-6-methylphenol is sourced from PubChem (CID 3042760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).