4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol

C14H21NO2 — CID 113478638

IUPAC4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol
SMILESCC(NCCC1CCC1)c1ccc(O)cc1O
InChIInChI=1S/C14H21NO2/c1-10(15-8-7-11-3-2-4-11)13-6-5-12(16)9-14(13)17/h5-6,9-11,15-17H,2-4,7-8H2,1H3
InChIKeyMJGPSJIGMHZOCZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.94
Rot. Bonds5

About 4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol

4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol (PubChem CID 113478638) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol
PubChem CID113478638
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol
SMILESCC(NCCC1CCC1)c1ccc(O)cc1O
InChIInChI=1S/C14H21NO2/c1-10(15-8-7-11-3-2-4-11)13-6-5-12(16)9-14(13)17/h5-6,9-11,15-17H,2-4,7-8H2,1H3
InChIKeyMJGPSJIGMHZOCZ-UHFFFAOYSA-N
XLogP2.94
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
CID 106008680
5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol
CID 104583290
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
CID 43151178
4-[1-(2-cyclopentylethylamino)ethyl]phenol
CID 54932146
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol
CID 114515122
4-[1-(4,4,4-trifluorobutylamino)ethyl]benzene-1,3-diol
CID 115516399
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
4-[1-(5,5,5-trifluoropentylamino)ethyl]benzene-1,3-diol
CID 115517298
4-[1-(3-pyrrolidin-1-ylpropylamino)ethyl]benzene-1,3-diol
CID 43203858
4-[1-(5-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 107316713

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol (CID 113478638) is 4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol is CC(NCCC1CCC1)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol?
The InChIKey is MJGPSJIGMHZOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(15-8-7-11-3-2-4-11)13-6-5-12(16)9-14(13)17/h5-6,9-11,15-17H,2-4,7-8H2,1H3.
What are the key properties of 4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol?
4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol has a molecular weight of 235.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 113478638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).