1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol

C11H16FNO — CID 91104903

IUPAC1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)CCF)cc1
InChIInChI=1S/C11H16FNO/c1-9(14)10-3-5-11(6-4-10)13(2)8-7-12/h3-6,9,14H,7-8H2,1-2H3
InChIKeyAYVUCGOOGSZQSS-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.15
Rot. Bonds4

About 1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol

1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol (PubChem CID 91104903) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol
PubChem CID91104903
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)CCF)cc1
InChIInChI=1S/C11H16FNO/c1-9(14)10-3-5-11(6-4-10)13(2)8-7-12/h3-6,9,14H,7-8H2,1-2H3
InChIKeyAYVUCGOOGSZQSS-UHFFFAOYSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol?
The IUPAC name of 1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol (CID 91104903) is 1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol is CC(O)c1ccc(N(C)CCF)cc1.
What is the InChIKey of 1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol?
The InChIKey is AYVUCGOOGSZQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-9(14)10-3-5-11(6-4-10)13(2)8-7-12/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol?
1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol has a molecular weight of 197.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-fluoroethyl(methyl)amino]phenyl]ethanol is sourced from PubChem (CID 91104903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).