2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol

C14H20FNO2 — CID 115631794

IUPAC2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CCCOc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-2-8-16(10-11-17)9-3-12-18-14-6-4-13(15)5-7-14/h2,4-7,17H,1,3,8-12H2
InChIKeyQDXWGSVNCXXGNF-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.07
Rot. Bonds9

About 2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol

2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol (PubChem CID 115631794) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol
PubChem CID115631794
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CCCOc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-2-8-16(10-11-17)9-3-12-18-14-6-4-13(15)5-7-14/h2,4-7,17H,1,3,8-12H2
InChIKeyQDXWGSVNCXXGNF-UHFFFAOYSA-N
XLogP2.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol
CID 113237465
2-[2-(4-fluorophenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79277557
3-[4-(4-fluorophenyl)phenoxy]propan-1-ol
CID 54464679
2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol
CID 115633472
2-[3-(4-chlorophenoxy)propyl-prop-2-enylamino]acetic acid
CID 79275482
N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine
CID 171832104
4-[3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propoxy]benzonitrile
CID 103864877
2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol
CID 115631911
2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
CID 60685925
4-[[4-[3-[bis(2-hydroxyethyl)amino]propoxy]phenyl]diazenyl]benzonitrile
CID 102123938
1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol
CID 78963624
2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
CID 111423289

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol (CID 115631794) is 2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol is C=CCN(CCO)CCCOc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol?
The InChIKey is QDXWGSVNCXXGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-2-8-16(10-11-17)9-3-12-18-14-6-4-13(15)5-7-14/h2,4-7,17H,1,3,8-12H2.
What are the key properties of 2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol?
2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol has a molecular weight of 253.32 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenoxy)propyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 115631794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).