4-[1-(2,5-difluorophenyl)ethylamino]phenol

C14H13F2NO — CID 43742782

IUPAC4-[1-(2,5-difluorophenyl)ethylamino]phenol
SMILESCC(Nc1ccc(O)cc1)c1cc(F)ccc1F
InChIInChI=1S/C14H13F2NO/c1-9(13-8-10(15)2-7-14(13)16)17-11-3-5-12(18)6-4-11/h2-9,17-18H,1H3
InChIKeyFVOVURXLAUASCA-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.84
Rot. Bonds3

About 4-[1-(2,5-difluorophenyl)ethylamino]phenol

4-[1-(2,5-difluorophenyl)ethylamino]phenol (PubChem CID 43742782) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 4-[1-(2,5-difluorophenyl)ethylamino]phenol.

Molecular Properties

Compound Name4-[1-(2,5-difluorophenyl)ethylamino]phenol
PubChem CID43742782
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name4-[1-(2,5-difluorophenyl)ethylamino]phenol
SMILESCC(Nc1ccc(O)cc1)c1cc(F)ccc1F
InChIInChI=1S/C14H13F2NO/c1-9(13-8-10(15)2-7-14(13)16)17-11-3-5-12(18)6-4-11/h2-9,17-18H,1H3
InChIKeyFVOVURXLAUASCA-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol
CID 82964843
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675
N-[1-(2,5-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192587
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol
CID 43790398
2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid
CID 43736287
5-[1-(2,5-difluorophenyl)ethylamino]-2-methylbenzamide
CID 56788859
5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol
CID 107700745
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43102776
5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol
CID 63065839
1-(2,5-difluorophenyl)ethylhydrazine
CID 53402215

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-difluorophenyl)ethylamino]phenol?
The IUPAC name of 4-[1-(2,5-difluorophenyl)ethylamino]phenol (CID 43742782) is 4-[1-(2,5-difluorophenyl)ethylamino]phenol.
What is the SMILES notation for 4-[1-(2,5-difluorophenyl)ethylamino]phenol?
The canonical SMILES for 4-[1-(2,5-difluorophenyl)ethylamino]phenol is CC(Nc1ccc(O)cc1)c1cc(F)ccc1F.
What is the InChIKey of 4-[1-(2,5-difluorophenyl)ethylamino]phenol?
The InChIKey is FVOVURXLAUASCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9(13-8-10(15)2-7-14(13)16)17-11-3-5-12(18)6-4-11/h2-9,17-18H,1H3.
What are the key properties of 4-[1-(2,5-difluorophenyl)ethylamino]phenol?
4-[1-(2,5-difluorophenyl)ethylamino]phenol has a molecular weight of 249.26 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-difluorophenyl)ethylamino]phenol is sourced from PubChem (CID 43742782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).