2-[1-(2-fluorophenyl)but-3-enylamino]ethanol

C12H16FNO — CID 115755860

IUPAC2-[1-(2-fluorophenyl)but-3-enylamino]ethanol
SMILESC=CCC(NCCO)c1ccccc1F
InChIInChI=1S/C12H16FNO/c1-2-5-12(14-8-9-15)10-6-3-4-7-11(10)13/h2-4,6-7,12,14-15H,1,5,8-9H2
InChIKeyLAAZHUUSPMQAJI-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.02
Rot. Bonds6

About 2-[1-(2-fluorophenyl)but-3-enylamino]ethanol

2-[1-(2-fluorophenyl)but-3-enylamino]ethanol (PubChem CID 115755860) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)but-3-enylamino]ethanol.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)but-3-enylamino]ethanol
PubChem CID115755860
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[1-(2-fluorophenyl)but-3-enylamino]ethanol
SMILESC=CCC(NCCO)c1ccccc1F
InChIInChI=1S/C12H16FNO/c1-2-5-12(14-8-9-15)10-6-3-4-7-11(10)13/h2-4,6-7,12,14-15H,1,5,8-9H2
InChIKeyLAAZHUUSPMQAJI-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine
CID 4711979
N-(2-chloroprop-2-enyl)-1-(2-fluorophenyl)but-3-en-1-amine
CID 115891033
N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine
CID 115755868
2-[1-(3-methoxynaphthalen-2-yl)but-3-enylamino]ethanol
CID 10635838
1-(4-chloro-2-fluorophenyl)-N-propylbut-3-en-1-amine
CID 63081783
1-(2-fluoro-5-methylphenyl)-N-propylbut-3-en-1-amine
CID 116660920
2-chloro-N-[1-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 122632451
1-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 116660748
(1R)-1-(2,6-difluorophenyl)but-3-en-1-ol
CID 101125248
2-(2-fluorophenyl)but-3-enylphosphonic acid
CID 66796396
1,1-bis[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-fluorophenyl)but-3-enyl]urea
CID 144615588
2-[1-(2-fluorophenyl)ethyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 55140277

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)but-3-enylamino]ethanol?
The IUPAC name of 2-[1-(2-fluorophenyl)but-3-enylamino]ethanol (CID 115755860) is 2-[1-(2-fluorophenyl)but-3-enylamino]ethanol.
What is the SMILES notation for 2-[1-(2-fluorophenyl)but-3-enylamino]ethanol?
The canonical SMILES for 2-[1-(2-fluorophenyl)but-3-enylamino]ethanol is C=CCC(NCCO)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)but-3-enylamino]ethanol?
The InChIKey is LAAZHUUSPMQAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-2-5-12(14-8-9-15)10-6-3-4-7-11(10)13/h2-4,6-7,12,14-15H,1,5,8-9H2.
What are the key properties of 2-[1-(2-fluorophenyl)but-3-enylamino]ethanol?
2-[1-(2-fluorophenyl)but-3-enylamino]ethanol has a molecular weight of 209.26 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)but-3-enylamino]ethanol is sourced from PubChem (CID 115755860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).