4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol

C15H23NO — CID 113219780

IUPAC4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CN(C)C2CCCC2)cc(C)c1O
InChIInChI=1S/C15H23NO/c1-11-8-13(9-12(2)15(11)17)10-16(3)14-6-4-5-7-14/h8-9,14,17H,4-7,10H2,1-3H3
InChIKeyMVGQYULOOYRGNA-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.38
Rot. Bonds3

About 4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol

4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol (PubChem CID 113219780) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol
PubChem CID113219780
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CN(C)C2CCCC2)cc(C)c1O
InChIInChI=1S/C15H23NO/c1-11-8-13(9-12(2)15(11)17)10-16(3)14-6-4-5-7-14/h8-9,14,17H,4-7,10H2,1-3H3
InChIKeyMVGQYULOOYRGNA-UHFFFAOYSA-N
XLogP3.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol (CID 113219780) is 4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol is Cc1cc(CN(C)C2CCCC2)cc(C)c1O.
What is the InChIKey of 4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol?
The InChIKey is MVGQYULOOYRGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-8-13(9-12(2)15(11)17)10-16(3)14-6-4-5-7-14/h8-9,14,17H,4-7,10H2,1-3H3.
What are the key properties of 4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol?
4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol has a molecular weight of 233.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 113219780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).