1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol

C11H15ClFNO — CID 62773532

IUPAC1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-2-6-14-7-10(15)11-8(12)4-3-5-9(11)13/h3-5,10,14-15H,2,6-7H2,1H3
InChIKeyZMZSKQICVNOFDA-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.51
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol

1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol (PubChem CID 62773532) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol
PubChem CID62773532
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-2-6-14-7-10(15)11-8(12)4-3-5-9(11)13/h3-5,10,14-15H,2,6-7H2,1H3
InChIKeyZMZSKQICVNOFDA-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol (CID 62773532) is 1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol is CCCNCC(O)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol?
The InChIKey is ZMZSKQICVNOFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-2-6-14-7-10(15)11-8(12)4-3-5-9(11)13/h3-5,10,14-15H,2,6-7H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol?
1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol has a molecular weight of 231.70 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-(propylamino)ethanol is sourced from PubChem (CID 62773532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).