2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol

C16H18FNO2 — CID 63066351

IUPAC2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol
SMILESCCOc1ccc(NC(C)c2ccc(F)cc2O)cc1
InChIInChI=1S/C16H18FNO2/c1-3-20-14-7-5-13(6-8-14)18-11(2)15-9-4-12(17)10-16(15)19/h4-11,18-19H,3H2,1-2H3
InChIKeyDPDIIKVRCPKMDQ-UHFFFAOYSA-N
MW275.32 g/mol
LogP4.10
Rot. Bonds5

About 2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol

2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol (PubChem CID 63066351) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol
PubChem CID63066351
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol
SMILESCCOc1ccc(NC(C)c2ccc(F)cc2O)cc1
InChIInChI=1S/C16H18FNO2/c1-3-20-14-7-5-13(6-8-14)18-11(2)15-9-4-12(17)10-16(15)19/h4-11,18-19H,3H2,1-2H3
InChIKeyDPDIIKVRCPKMDQ-UHFFFAOYSA-N
XLogP4.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 54.10
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

5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol
CID 63068191
2-[1-(3-chloro-4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63067302
5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol
CID 63065839
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol
CID 63064811
5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 63065466
4-chloro-2-[1-(4-ethoxyanilino)ethyl]phenol
CID 2948111
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
CID 55146491
4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide
CID 63066353
2-[1-(3-bromo-5-methoxyanilino)ethyl]-5-fluorophenol
CID 82857306
2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol
CID 104584071
2-[1-(4-bromo-3,5-dimethylanilino)ethyl]-5-fluorophenol
CID 107572030
2-[1-(3-ethoxyanilino)ethyl]phenol
CID 54865033

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol (CID 63066351) is 2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol is CCOc1ccc(NC(C)c2ccc(F)cc2O)cc1.
What is the InChIKey of 2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol?
The InChIKey is DPDIIKVRCPKMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-3-20-14-7-5-13(6-8-14)18-11(2)15-9-4-12(17)10-16(15)19/h4-11,18-19H,3H2,1-2H3.
What are the key properties of 2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol?
2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol has a molecular weight of 275.32 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol is sourced from PubChem (CID 63066351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).