5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol

C14H21NO2 — CID 153348387

IUPAC5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol
SMILESCCc1ccc(C(O)CNC2CCC2)cc1O
InChIInChI=1S/C14H21NO2/c1-2-10-6-7-11(8-13(10)16)14(17)9-15-12-4-3-5-12/h6-8,12,14-17H,2-5,9H2,1H3
InChIKeyOLVAYVMIFLBDFB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds5

About 5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol

5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol (PubChem CID 153348387) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol.

Molecular Properties

Compound Name5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol
PubChem CID153348387
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol
SMILESCCc1ccc(C(O)CNC2CCC2)cc1O
InChIInChI=1S/C14H21NO2/c1-2-10-6-7-11(8-13(10)16)14(17)9-15-12-4-3-5-12/h6-8,12,14-17H,2-5,9H2,1H3
InChIKeyOLVAYVMIFLBDFB-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol?
The IUPAC name of 5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol (CID 153348387) is 5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol.
What is the SMILES notation for 5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol?
The canonical SMILES for 5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol is CCc1ccc(C(O)CNC2CCC2)cc1O.
What is the InChIKey of 5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol?
The InChIKey is OLVAYVMIFLBDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-10-6-7-11(8-13(10)16)14(17)9-15-12-4-3-5-12/h6-8,12,14-17H,2-5,9H2,1H3.
What are the key properties of 5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol?
5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol has a molecular weight of 235.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclobutylamino)-1-hydroxyethyl]-2-ethylphenol is sourced from PubChem (CID 153348387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).