2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol

C14H13ClFNO — CID 154291643

IUPAC2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol
SMILESNc1c(CCO)cccc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFNO/c15-12-8-10(4-5-13(12)16)11-3-1-2-9(6-7-18)14(11)17/h1-5,8,18H,6-7,17H2
InChIKeyJLSRQGQXOSVCEG-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.26
Rot. Bonds3

About 2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol

2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol (PubChem CID 154291643) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol
PubChem CID154291643
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol
SMILESNc1c(CCO)cccc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFNO/c15-12-8-10(4-5-13(12)16)11-3-1-2-9(6-7-18)14(11)17/h1-5,8,18H,6-7,17H2
InChIKeyJLSRQGQXOSVCEG-UHFFFAOYSA-N
XLogP3.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol?
The IUPAC name of 2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol (CID 154291643) is 2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol?
The canonical SMILES for 2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol is Nc1c(CCO)cccc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol?
The InChIKey is JLSRQGQXOSVCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-12-8-10(4-5-13(12)16)11-3-1-2-9(6-7-18)14(11)17/h1-5,8,18H,6-7,17H2.
What are the key properties of 2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol?
2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol has a molecular weight of 265.72 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol is sourced from PubChem (CID 154291643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).