2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol

C12H18FNO — CID 145138621

IUPAC2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol
SMILESCCNCCc1cc(F)ccc1CCO
InChIInChI=1S/C12H18FNO/c1-2-14-7-5-11-9-12(13)4-3-10(11)6-8-15/h3-4,9,14-15H,2,5-8H2,1H3
InChIKeyAZGWADDSJCDWCU-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.51
Rot. Bonds6

About 2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol

2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol (PubChem CID 145138621) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol
PubChem CID145138621
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol
SMILESCCNCCc1cc(F)ccc1CCO
InChIInChI=1S/C12H18FNO/c1-2-14-7-5-11-9-12(13)4-3-10(11)6-8-15/h3-4,9,14-15H,2,5-8H2,1H3
InChIKeyAZGWADDSJCDWCU-UHFFFAOYSA-N
XLogP1.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.51
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

N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-ethyl-2-(6-fluoro-1-methylindol-3-yl)ethanamine
CID 82494111
2-[2-(dimethylamino)-5-fluorophenyl]ethanol
CID 55266724
2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 82491545
4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376564
3-[2-(2,5-difluorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135457
1-(2-chloro-5-fluorophenyl)-4-(ethylamino)butan-2-one
CID 102622099
1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96659942
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol?
The IUPAC name of 2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol (CID 145138621) is 2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol.
What is the SMILES notation for 2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol?
The canonical SMILES for 2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol is CCNCCc1cc(F)ccc1CCO.
What is the InChIKey of 2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol?
The InChIKey is AZGWADDSJCDWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-2-14-7-5-11-9-12(13)4-3-10(11)6-8-15/h3-4,9,14-15H,2,5-8H2,1H3.
What are the key properties of 2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol?
2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol has a molecular weight of 211.28 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol is sourced from PubChem (CID 145138621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).