2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol

C12H18FNO — CID 115216581

IUPAC2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol
SMILESCC(C)(CNCCO)c1ccccc1F
InChIInChI=1S/C12H18FNO/c1-12(2,9-14-7-8-15)10-5-3-4-6-11(10)13/h3-6,14-15H,7-9H2,1-2H3
InChIKeyCFLIZTPCFNESEB-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.69
Rot. Bonds5

About 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol

2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol (PubChem CID 115216581) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol
PubChem CID115216581
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol
SMILESCC(C)(CNCCO)c1ccccc1F
InChIInChI=1S/C12H18FNO/c1-12(2,9-14-7-8-15)10-5-3-4-6-11(10)13/h3-6,14-15H,7-9H2,1-2H3
InChIKeyCFLIZTPCFNESEB-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
N-Phenethylethanolamine
CID 17826
2-[[3-(4-tert-Butylphenyl)-2-methylpropyl]amino]ethanol
CID 139596372
1-[[3-(4-tert-Butylphenyl)-2-methylpropyl]amino]propan-2-ol
CID 139598047
2-((1-Methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethanol
CID 35748
Ethanol, 2-(alpha-methylphenethyl)amino-
CID 45446
2-{[(4-Fluorophenyl)methyl]amino}ethan-1-ol
CID 3614545
2-Propanol, 1-(alpha,alpha-dimethyl-beta-phenethylamino)-
CID 89515
1-Propanol, 3-(alpha-methyl-m-trifluoromethylphenethylamino)-
CID 211154
2-(((1S)-1-phenylethyl)amino)ethan-1-ol
CID 2733847
2-((2-Fluorobenzyl)Amino)Ethanol
CID 4719266
2-[2,2-Diphenylpropyl(2-hydroxyethyl)amino]ethanol
CID 13822819

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol?
The IUPAC name of 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol (CID 115216581) is 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol?
The canonical SMILES for 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol is CC(C)(CNCCO)c1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol?
The InChIKey is CFLIZTPCFNESEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(2,9-14-7-8-15)10-5-3-4-6-11(10)13/h3-6,14-15H,7-9H2,1-2H3.
What are the key properties of 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol?
2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol has a molecular weight of 211.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol is sourced from PubChem (CID 115216581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).