2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol

C13H17F2NO2 — CID 111423289

IUPAC2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO2/c1-2-7-16(8-9-17)10-11-3-5-12(6-4-11)18-13(14)15/h2-6,13,17H,1,7-10H2
InChIKeyCXYDSHFETITZCD-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.27
Rot. Bonds8

About 2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol

2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol (PubChem CID 111423289) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
PubChem CID111423289
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO2/c1-2-7-16(8-9-17)10-11-3-5-12(6-4-11)18-13(14)15/h2-6,13,17H,1,7-10H2
InChIKeyCXYDSHFETITZCD-UHFFFAOYSA-N
XLogP2.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
CID 115631692
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
CID 115631731
2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol
CID 115631911
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660
1-(difluoromethoxy)-4-prop-2-enylbenzene
CID 142914126
2-[carboxymethyl-[[4-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 65065686
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
2-[[4-(4-ethenylphenyl)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 23569814
[4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol
CID 83794067
2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
CID 60682190
1-but-3-enyl-4-[4-(difluoromethoxy)phenyl]benzene
CID 139764185

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol (CID 111423289) is 2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol?
The InChIKey is CXYDSHFETITZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-2-7-16(8-9-17)10-11-3-5-12(6-4-11)18-13(14)15/h2-6,13,17H,1,7-10H2.
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol?
2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol has a molecular weight of 257.28 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 111423289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).