2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol

C12H15F2NO — CID 115883250

IUPAC2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1c(F)cccc1F
InChIInChI=1S/C12H15F2NO/c1-2-6-15(7-8-16)9-10-11(13)4-3-5-12(10)14/h2-5,16H,1,6-9H2
InChIKeyINXBQMVAOVWLBP-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.95
Rot. Bonds6

About 2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol

2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol (PubChem CID 115883250) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol
PubChem CID115883250
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1c(F)cccc1F
InChIInChI=1S/C12H15F2NO/c1-2-6-15(7-8-16)9-10-11(13)4-3-5-12(10)14/h2-5,16H,1,6-9H2
InChIKeyINXBQMVAOVWLBP-UHFFFAOYSA-N
XLogP1.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol
CID 115631698
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol
CID 115647773
2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol
CID 115669656
2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol
CID 115631668
2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 115610796
2-[[5-[(tert-butylamino)methyl]-2-fluorophenyl]methyl-prop-2-enylamino]ethanol
CID 107455662
2-[(3-nitrophenyl)methyl-prop-2-enylamino]ethanol
CID 111423236
2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
CID 111423289
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
CID 115631692
1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol
CID 113339929
2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
CID 115631731

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol (CID 115883250) is 2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol?
The InChIKey is INXBQMVAOVWLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-2-6-15(7-8-16)9-10-11(13)4-3-5-12(10)14/h2-5,16H,1,6-9H2.
What are the key properties of 2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol?
2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol has a molecular weight of 227.25 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 115883250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).