2-[1-(diethylaminomethyl)cyclobutyl]phenol

C15H23NO — CID 115039759

IUPAC2-[1-(diethylaminomethyl)cyclobutyl]phenol
SMILESCCN(CC)CC1(c2ccccc2O)CCC1
InChIInChI=1S/C15H23NO/c1-3-16(4-2)12-15(10-7-11-15)13-8-5-6-9-14(13)17/h5-6,8-9,17H,3-4,7,10-12H2,1-2H3
InChIKeyTYWSTFFGLYRUSE-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.16
Rot. Bonds5

About 2-[1-(diethylaminomethyl)cyclobutyl]phenol

2-[1-(diethylaminomethyl)cyclobutyl]phenol (PubChem CID 115039759) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[1-(diethylaminomethyl)cyclobutyl]phenol.

Molecular Properties

Compound Name2-[1-(diethylaminomethyl)cyclobutyl]phenol
PubChem CID115039759
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[1-(diethylaminomethyl)cyclobutyl]phenol
SMILESCCN(CC)CC1(c2ccccc2O)CCC1
InChIInChI=1S/C15H23NO/c1-3-16(4-2)12-15(10-7-11-15)13-8-5-6-9-14(13)17/h5-6,8-9,17H,3-4,7,10-12H2,1-2H3
InChIKeyTYWSTFFGLYRUSE-UHFFFAOYSA-N
XLogP3.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(diethylaminomethyl)cyclobutyl]phenol 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 2-[1-(diethylaminomethyl)cyclobutyl]phenol?
The IUPAC name of 2-[1-(diethylaminomethyl)cyclobutyl]phenol (CID 115039759) is 2-[1-(diethylaminomethyl)cyclobutyl]phenol.
What is the SMILES notation for 2-[1-(diethylaminomethyl)cyclobutyl]phenol?
The canonical SMILES for 2-[1-(diethylaminomethyl)cyclobutyl]phenol is CCN(CC)CC1(c2ccccc2O)CCC1.
What is the InChIKey of 2-[1-(diethylaminomethyl)cyclobutyl]phenol?
The InChIKey is TYWSTFFGLYRUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-16(4-2)12-15(10-7-11-15)13-8-5-6-9-14(13)17/h5-6,8-9,17H,3-4,7,10-12H2,1-2H3.
What are the key properties of 2-[1-(diethylaminomethyl)cyclobutyl]phenol?
2-[1-(diethylaminomethyl)cyclobutyl]phenol has a molecular weight of 233.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylaminomethyl)cyclobutyl]phenol is sourced from PubChem (CID 115039759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).