2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol

C15H22FNO — CID 79862137

IUPAC2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol
SMILESCC(NC1CCCC1(C)C)c1ccc(F)cc1O
InChIInChI=1S/C15H22FNO/c1-10(12-7-6-11(16)9-13(12)18)17-14-5-4-8-15(14,2)3/h6-7,9-10,14,17-18H,4-5,8H2,1-3H3
InChIKeyFYIJSJQKKNLSFU-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.76
Rot. Bonds3

About 2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol

2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol (PubChem CID 79862137) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol
PubChem CID79862137
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol
SMILESCC(NC1CCCC1(C)C)c1ccc(F)cc1O
InChIInChI=1S/C15H22FNO/c1-10(12-7-6-11(16)9-13(12)18)17-14-5-4-8-15(14,2)3/h6-7,9-10,14,17-18H,4-5,8H2,1-3H3
InChIKeyFYIJSJQKKNLSFU-UHFFFAOYSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol (CID 79862137) is 2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol is CC(NC1CCCC1(C)C)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol?
The InChIKey is FYIJSJQKKNLSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10(12-7-6-11(16)9-13(12)18)17-14-5-4-8-15(14,2)3/h6-7,9-10,14,17-18H,4-5,8H2,1-3H3.
What are the key properties of 2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol?
2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol has a molecular weight of 251.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2-dimethylcyclopentyl)amino]ethyl]-5-fluorophenol is sourced from PubChem (CID 79862137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).