3-(2-amino-2-cyclobutylethoxy)phenol

C12H17NO2 — CID 117245581

IUPAC3-(2-amino-2-cyclobutylethoxy)phenol
SMILESNC(COc1cccc(O)c1)C1CCC1
InChIInChI=1S/C12H17NO2/c13-12(9-3-1-4-9)8-15-11-6-2-5-10(14)7-11/h2,5-7,9,12,14H,1,3-4,8,13H2
InChIKeyGIKLUJYAYHNWFN-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.90
Rot. Bonds4

About 3-(2-amino-2-cyclobutylethoxy)phenol

3-(2-amino-2-cyclobutylethoxy)phenol (PubChem CID 117245581) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(2-amino-2-cyclobutylethoxy)phenol.

Molecular Properties

Compound Name3-(2-amino-2-cyclobutylethoxy)phenol
PubChem CID117245581
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(2-amino-2-cyclobutylethoxy)phenol
SMILESNC(COc1cccc(O)c1)C1CCC1
InChIInChI=1S/C12H17NO2/c13-12(9-3-1-4-9)8-15-11-6-2-5-10(14)7-11/h2,5-7,9,12,14H,1,3-4,8,13H2
InChIKeyGIKLUJYAYHNWFN-UHFFFAOYSA-N
XLogP1.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol
CID 117237357
2-(3-bromophenoxy)-1-cyclobutylethanamine
CID 117245578
3-(3-amino-2-cyclohexylpropoxy)phenol
CID 117245987
3-(2-cyclopentyl-2-hydroxyethoxy)phenol
CID 117245767
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
3-(2-cyclohexyl-3-hydroxypropoxy)phenol
CID 117245989
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502
2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238779
1-cyclopentyl-2-(3,4-dimethylphenoxy)ethanamine
CID 104748507
3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239345
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597
2-(3-bromophenoxy)-1-(thian-4-yl)ethanamine
CID 117238803

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-cyclobutylethoxy)phenol?
The IUPAC name of 3-(2-amino-2-cyclobutylethoxy)phenol (CID 117245581) is 3-(2-amino-2-cyclobutylethoxy)phenol.
What is the SMILES notation for 3-(2-amino-2-cyclobutylethoxy)phenol?
The canonical SMILES for 3-(2-amino-2-cyclobutylethoxy)phenol is NC(COc1cccc(O)c1)C1CCC1.
What is the InChIKey of 3-(2-amino-2-cyclobutylethoxy)phenol?
The InChIKey is GIKLUJYAYHNWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-12(9-3-1-4-9)8-15-11-6-2-5-10(14)7-11/h2,5-7,9,12,14H,1,3-4,8,13H2.
What are the key properties of 3-(2-amino-2-cyclobutylethoxy)phenol?
3-(2-amino-2-cyclobutylethoxy)phenol has a molecular weight of 207.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-cyclobutylethoxy)phenol is sourced from PubChem (CID 117245581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).