2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol

C17H27NO2 — CID 115642851

IUPAC2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol
SMILESCC(C)COC1CC(NCc2ccccc2O)C1(C)C
InChIInChI=1S/C17H27NO2/c1-12(2)11-20-16-9-15(17(16,3)4)18-10-13-7-5-6-8-14(13)19/h5-8,12,15-16,18-19H,9-11H2,1-4H3
InChIKeyCWENBBGGPIFLBV-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.32
Rot. Bonds6

About 2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol

2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol (PubChem CID 115642851) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol
PubChem CID115642851
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol
SMILESCC(C)COC1CC(NCc2ccccc2O)C1(C)C
InChIInChI=1S/C17H27NO2/c1-12(2)11-20-16-9-15(17(16,3)4)18-10-13-7-5-6-8-14(13)19/h5-8,12,15-16,18-19H,9-11H2,1-4H3
InChIKeyCWENBBGGPIFLBV-UHFFFAOYSA-N
XLogP3.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol?
The IUPAC name of 2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol (CID 115642851) is 2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol?
The canonical SMILES for 2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol is CC(C)COC1CC(NCc2ccccc2O)C1(C)C.
What is the InChIKey of 2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol?
The InChIKey is CWENBBGGPIFLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)11-20-16-9-15(17(16,3)4)18-10-13-7-5-6-8-14(13)19/h5-8,12,15-16,18-19H,9-11H2,1-4H3.
What are the key properties of 2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol?
2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol has a molecular weight of 277.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol is sourced from PubChem (CID 115642851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).