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

Related Compounds

4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 115279600
4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol
CID 4916282
4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol
CID 78907248
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
CID 90686398
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol
CID 106621618
2,4-dichloro-6-[[cyclopentyl(methyl)amino]methyl]phenol
CID 82974965
2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
CID 65057571
cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium
CID 7319529
CID 174466109
CID 174466109
N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine
CID 127013314
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711

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).