2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline

C16H19FN2O2 — CID 63592720

IUPAC2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(Oc2cccc(N(C)C)c2)c(N)cc1F
InChIInChI=1S/C16H19FN2O2/c1-4-20-15-10-16(14(18)9-13(15)17)21-12-7-5-6-11(8-12)19(2)3/h5-10H,4,18H2,1-3H3
InChIKeySCHRNQQCPWJSQB-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.66
Rot. Bonds5

About 2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline

2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline (PubChem CID 63592720) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline
PubChem CID63592720
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(Oc2cccc(N(C)C)c2)c(N)cc1F
InChIInChI=1S/C16H19FN2O2/c1-4-20-15-10-16(14(18)9-13(15)17)21-12-7-5-6-11(8-12)19(2)3/h5-10H,4,18H2,1-3H3
InChIKeySCHRNQQCPWJSQB-UHFFFAOYSA-N
XLogP3.66
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline?
The IUPAC name of 2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline (CID 63592720) is 2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline.
What is the SMILES notation for 2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline?
The canonical SMILES for 2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline is CCOc1cc(Oc2cccc(N(C)C)c2)c(N)cc1F.
What is the InChIKey of 2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline?
The InChIKey is SCHRNQQCPWJSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-4-20-15-10-16(14(18)9-13(15)17)21-12-7-5-6-11(8-12)19(2)3/h5-10H,4,18H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline?
2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline has a molecular weight of 290.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenoxy]-4-ethoxy-5-fluoroaniline is sourced from PubChem (CID 63592720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).