4-[2-(butylamino)-1-hydroxyethyl]phenol

C12H19NO2 — CID 2292

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IUPAC4-[2-(butylamino)-1-hydroxyethyl]phenol
SMILESCCCCNCC(O)c1ccc(O)cc1
InChIInChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3
InChIKeyRDUHXGIIUDVSHR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.82
Rot. Bonds6

About 4-[2-(butylamino)-1-hydroxyethyl]phenol

4-[2-(butylamino)-1-hydroxyethyl]phenol (PubChem CID 2292) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[2-(butylamino)-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[2-(butylamino)-1-hydroxyethyl]phenol
PubChem CID2292
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-[2-(butylamino)-1-hydroxyethyl]phenol
SMILESCCCCNCC(O)c1ccc(O)cc1
InChIInChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3
InChIKeyRDUHXGIIUDVSHR-UHFFFAOYSA-N
XLogP1.82
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(butylamino)-1-hydroxyethyl]phenol?
The IUPAC name of 4-[2-(butylamino)-1-hydroxyethyl]phenol (CID 2292) is 4-[2-(butylamino)-1-hydroxyethyl]phenol.
What is the SMILES notation for 4-[2-(butylamino)-1-hydroxyethyl]phenol?
The canonical SMILES for 4-[2-(butylamino)-1-hydroxyethyl]phenol is CCCCNCC(O)c1ccc(O)cc1.
What is the InChIKey of 4-[2-(butylamino)-1-hydroxyethyl]phenol?
The InChIKey is RDUHXGIIUDVSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3.
What are the key properties of 4-[2-(butylamino)-1-hydroxyethyl]phenol?
4-[2-(butylamino)-1-hydroxyethyl]phenol has a molecular weight of 209.29 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butylamino)-1-hydroxyethyl]phenol is sourced from PubChem (CID 2292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).