1-(3-fluorophenyl)-2-(octylamino)ethanol

C16H26FNO — CID 115567782

IUPAC1-(3-fluorophenyl)-2-(octylamino)ethanol
SMILESCCCCCCCCNCC(O)c1cccc(F)c1
InChIInChI=1S/C16H26FNO/c1-2-3-4-5-6-7-11-18-13-16(19)14-9-8-10-15(17)12-14/h8-10,12,16,18-19H,2-7,11,13H2,1H3
InChIKeyQROVJFLVQQRODG-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.81
Rot. Bonds10

About 1-(3-fluorophenyl)-2-(octylamino)ethanol

1-(3-fluorophenyl)-2-(octylamino)ethanol (PubChem CID 115567782) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(octylamino)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(octylamino)ethanol
PubChem CID115567782
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-(3-fluorophenyl)-2-(octylamino)ethanol
SMILESCCCCCCCCNCC(O)c1cccc(F)c1
InChIInChI=1S/C16H26FNO/c1-2-3-4-5-6-7-11-18-13-16(19)14-9-8-10-15(17)12-14/h8-10,12,16,18-19H,2-7,11,13H2,1H3
InChIKeyQROVJFLVQQRODG-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.81
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

1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol
CID 115325304
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60906498
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol
CID 60898398
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
1-(3-fluorophenyl)-2-(3-methylsulfinylbutylamino)ethanol
CID 113490452
1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol
CID 106547043
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol
CID 107151876
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(octylamino)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-(octylamino)ethanol (CID 115567782) is 1-(3-fluorophenyl)-2-(octylamino)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(octylamino)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(octylamino)ethanol is CCCCCCCCNCC(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(octylamino)ethanol?
The InChIKey is QROVJFLVQQRODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-2-3-4-5-6-7-11-18-13-16(19)14-9-8-10-15(17)12-14/h8-10,12,16,18-19H,2-7,11,13H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(octylamino)ethanol?
1-(3-fluorophenyl)-2-(octylamino)ethanol has a molecular weight of 267.39 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(octylamino)ethanol is sourced from PubChem (CID 115567782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).