3-amino-2-[1-(2-fluorophenyl)ethyl]phenol

C14H14FNO — CID 176973739

IUPAC3-amino-2-[1-(2-fluorophenyl)ethyl]phenol
SMILESCC(c1ccccc1F)c1c(N)cccc1O
InChIInChI=1S/C14H14FNO/c1-9(10-5-2-3-6-11(10)15)14-12(16)7-4-8-13(14)17/h2-9,17H,16H2,1H3
InChIKeySMCUMTAUFBSACQ-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.27
Rot. Bonds2

About 3-amino-2-[1-(2-fluorophenyl)ethyl]phenol

3-amino-2-[1-(2-fluorophenyl)ethyl]phenol (PubChem CID 176973739) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-amino-2-[1-(2-fluorophenyl)ethyl]phenol.

Molecular Properties

Compound Name3-amino-2-[1-(2-fluorophenyl)ethyl]phenol
PubChem CID176973739
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name3-amino-2-[1-(2-fluorophenyl)ethyl]phenol
SMILESCC(c1ccccc1F)c1c(N)cccc1O
InChIInChI=1S/C14H14FNO/c1-9(10-5-2-3-6-11(10)15)14-12(16)7-4-8-13(14)17/h2-9,17H,16H2,1H3
InChIKeySMCUMTAUFBSACQ-UHFFFAOYSA-N
XLogP3.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.27
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 3-amino-2-[1-(2-fluorophenyl)ethyl]phenol?
The IUPAC name of 3-amino-2-[1-(2-fluorophenyl)ethyl]phenol (CID 176973739) is 3-amino-2-[1-(2-fluorophenyl)ethyl]phenol.
What is the SMILES notation for 3-amino-2-[1-(2-fluorophenyl)ethyl]phenol?
The canonical SMILES for 3-amino-2-[1-(2-fluorophenyl)ethyl]phenol is CC(c1ccccc1F)c1c(N)cccc1O.
What is the InChIKey of 3-amino-2-[1-(2-fluorophenyl)ethyl]phenol?
The InChIKey is SMCUMTAUFBSACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9(10-5-2-3-6-11(10)15)14-12(16)7-4-8-13(14)17/h2-9,17H,16H2,1H3.
What are the key properties of 3-amino-2-[1-(2-fluorophenyl)ethyl]phenol?
3-amino-2-[1-(2-fluorophenyl)ethyl]phenol has a molecular weight of 231.27 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[1-(2-fluorophenyl)ethyl]phenol is sourced from PubChem (CID 176973739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).