2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol

C12H18FNO2 — CID 138473225

IUPAC2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol
SMILESCCCCNC[C@H](O)c1ccc(F)cc1O
InChIInChI=1S/C12H18FNO2/c1-2-3-6-14-8-12(16)10-5-4-9(13)7-11(10)15/h4-5,7,12,14-16H,2-3,6,8H2,1H3/t12-/m0/s1
InChIKeyLUGPEXVVGGTZDT-LBPRGKRZSA-N
MW227.28 g/mol
LogP1.95
Rot. Bonds6

About 2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol

2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol (PubChem CID 138473225) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol
PubChem CID138473225
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol
SMILESCCCCNC[C@H](O)c1ccc(F)cc1O
InChIInChI=1S/C12H18FNO2/c1-2-3-6-14-8-12(16)10-5-4-9(13)7-11(10)15/h4-5,7,12,14-16H,2-3,6,8H2,1H3/t12-/m0/s1
InChIKeyLUGPEXVVGGTZDT-LBPRGKRZSA-N
XLogP1.95
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.95
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol?
The IUPAC name of 2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol (CID 138473225) is 2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol.
What is the SMILES notation for 2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol?
The canonical SMILES for 2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol is CCCCNC[C@H](O)c1ccc(F)cc1O.
What is the InChIKey of 2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol?
The InChIKey is LUGPEXVVGGTZDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-2-3-6-14-8-12(16)10-5-4-9(13)7-11(10)15/h4-5,7,12,14-16H,2-3,6,8H2,1H3/t12-/m0/s1.
What are the key properties of 2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol?
2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol has a molecular weight of 227.28 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-(butylamino)-1-hydroxyethyl]-5-fluorophenol is sourced from PubChem (CID 138473225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).