5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol

C17H20FNO2 — CID 63068191

IUPAC5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol
SMILESCCCOc1ccc(NC(C)c2ccc(F)cc2O)cc1
InChIInChI=1S/C17H20FNO2/c1-3-10-21-15-7-5-14(6-8-15)19-12(2)16-9-4-13(18)11-17(16)20/h4-9,11-12,19-20H,3,10H2,1-2H3
InChIKeyVIKAJPIVLMPOOR-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.49
Rot. Bonds6

About 5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol

5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol (PubChem CID 63068191) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol
PubChem CID63068191
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol
SMILESCCCOc1ccc(NC(C)c2ccc(F)cc2O)cc1
InChIInChI=1S/C17H20FNO2/c1-3-10-21-15-7-5-14(6-8-15)19-12(2)16-9-4-13(18)11-17(16)20/h4-9,11-12,19-20H,3,10H2,1-2H3
InChIKeyVIKAJPIVLMPOOR-UHFFFAOYSA-N
XLogP4.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63066351
2-[1-(4-propoxyanilino)ethyl]benzene-1,4-diol
CID 62329504
4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol
CID 62327278
5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol
CID 63065839
2-[1-(3-chloro-4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63067302
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline
CID 83118967
5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 63065466
4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide
CID 63066353
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol
CID 63064811
3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43094821
N-propan-2-yl-4-propoxyaniline
CID 21311809
2-[1-(3-bromo-5-methoxyanilino)ethyl]-5-fluorophenol
CID 82857306

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol (CID 63068191) is 5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol is CCCOc1ccc(NC(C)c2ccc(F)cc2O)cc1.
What is the InChIKey of 5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol?
The InChIKey is VIKAJPIVLMPOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-3-10-21-15-7-5-14(6-8-15)19-12(2)16-9-4-13(18)11-17(16)20/h4-9,11-12,19-20H,3,10H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol?
5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol has a molecular weight of 289.35 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol is sourced from PubChem (CID 63068191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).