2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine

C16H19FN2O2 — CID 89050980

IUPAC2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine
SMILESCCOCCNc1cc(Oc2ccc(F)cc2)ccc1N
InChIInChI=1S/C16H19FN2O2/c1-2-20-10-9-19-16-11-14(7-8-15(16)18)21-13-5-3-12(17)4-6-13/h3-8,11,19H,2,9-10,18H2,1H3
InChIKeyWOJKYFVILLFZPS-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.65
Rot. Bonds7

About 2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine

2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine (PubChem CID 89050980) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine
PubChem CID89050980
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine
SMILESCCOCCNc1cc(Oc2ccc(F)cc2)ccc1N
InChIInChI=1S/C16H19FN2O2/c1-2-20-10-9-19-16-11-14(7-8-15(16)18)21-13-5-3-12(17)4-6-13/h3-8,11,19H,2,9-10,18H2,1H3
InChIKeyWOJKYFVILLFZPS-UHFFFAOYSA-N
XLogP3.65
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine (CID 89050980) is 2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine is CCOCCNc1cc(Oc2ccc(F)cc2)ccc1N.
What is the InChIKey of 2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine?
The InChIKey is WOJKYFVILLFZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-20-10-9-19-16-11-14(7-8-15(16)18)21-13-5-3-12(17)4-6-13/h3-8,11,19H,2,9-10,18H2,1H3.
What are the key properties of 2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine?
2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine has a molecular weight of 290.34 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-4-(4-fluorophenoxy)benzene-1,2-diamine is sourced from PubChem (CID 89050980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).