4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol

C14H13ClFNO — CID 69477299

IUPAC4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol
SMILESNC(Cc1ccc(O)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H13ClFNO/c15-13-8-10(16)3-6-12(13)14(17)7-9-1-4-11(18)5-2-9/h1-6,8,14,18H,7,17H2
InChIKeyXJNBMBHZBNYGIR-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.43
Rot. Bonds3

About 4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol

4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol (PubChem CID 69477299) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol
PubChem CID69477299
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol
SMILESNC(Cc1ccc(O)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H13ClFNO/c15-13-8-10(16)3-6-12(13)14(17)7-9-1-4-11(18)5-2-9/h1-6,8,14,18H,7,17H2
InChIKeyXJNBMBHZBNYGIR-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol?
The IUPAC name of 4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol (CID 69477299) is 4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol.
What is the SMILES notation for 4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol?
The canonical SMILES for 4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol is NC(Cc1ccc(O)cc1)c1ccc(F)cc1Cl.
What is the InChIKey of 4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol?
The InChIKey is XJNBMBHZBNYGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-13-8-10(16)3-6-12(13)14(17)7-9-1-4-11(18)5-2-9/h1-6,8,14,18H,7,17H2.
What are the key properties of 4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol?
4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol has a molecular weight of 265.72 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol is sourced from PubChem (CID 69477299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).