2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol

C14H13ClFNO — CID 43716635

IUPAC2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol
SMILESCC(Nc1ccc(Cl)cc1F)c1ccccc1O
InChIInChI=1S/C14H13ClFNO/c1-9(11-4-2-3-5-14(11)18)17-13-7-6-10(15)8-12(13)16/h2-9,17-18H,1H3
InChIKeySAYZOVVRCQNRLQ-UHFFFAOYSA-N
MW265.72 g/mol
LogP4.36
Rot. Bonds3

About 2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol

2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol (PubChem CID 43716635) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol
PubChem CID43716635
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol
SMILESCC(Nc1ccc(Cl)cc1F)c1ccccc1O
InChIInChI=1S/C14H13ClFNO/c1-9(11-4-2-3-5-14(11)18)17-13-7-6-10(15)8-12(13)16/h2-9,17-18H,1H3
InChIKeySAYZOVVRCQNRLQ-UHFFFAOYSA-N
XLogP4.36
TPSA32.26 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 ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(5-chloro-2-methylanilino)ethyl]phenol
CID 43189458
2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol
CID 43741167
2-[1-(5-chloro-2-fluoroanilino)ethyl]benzene-1,4-diol
CID 43438338
4-chloro-2-fluoro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43785087
2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol
CID 79769055
2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol
CID 43114127
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43226871
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
2-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683498
2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
CID 107633370
4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63512040
4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline
CID 43716586

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol?
The IUPAC name of 2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol (CID 43716635) is 2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol.
What is the SMILES notation for 2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol?
The canonical SMILES for 2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol is CC(Nc1ccc(Cl)cc1F)c1ccccc1O.
What is the InChIKey of 2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol?
The InChIKey is SAYZOVVRCQNRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9(11-4-2-3-5-14(11)18)17-13-7-6-10(15)8-12(13)16/h2-9,17-18H,1H3.
What are the key properties of 2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol?
2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol has a molecular weight of 265.72 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol is sourced from PubChem (CID 43716635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).