4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline

C16H20N2O2 — CID 974772

IUPAC4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline
SMILESCCOc1cc(-c2ccc(N)c(OCC)c2)ccc1N
InChIInChI=1S/C16H20N2O2/c1-3-19-15-9-11(5-7-13(15)17)12-6-8-14(18)16(10-12)20-4-2/h5-10H,3-4,17-18H2,1-2H3
InChIKeyXRWMYQLURQHNCL-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.32
Rot. Bonds5

About 4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline

4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline (PubChem CID 974772) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline.

Molecular Properties

Compound Name4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline
PubChem CID974772
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline
SMILESCCOc1cc(-c2ccc(N)c(OCC)c2)ccc1N
InChIInChI=1S/C16H20N2O2/c1-3-19-15-9-11(5-7-13(15)17)12-6-8-14(18)16(10-12)20-4-2/h5-10H,3-4,17-18H2,1-2H3
InChIKeyXRWMYQLURQHNCL-UHFFFAOYSA-N
XLogP3.32
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
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 4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline?
The IUPAC name of 4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline (CID 974772) is 4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline.
What is the SMILES notation for 4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline?
The canonical SMILES for 4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline is CCOc1cc(-c2ccc(N)c(OCC)c2)ccc1N.
What is the InChIKey of 4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline?
The InChIKey is XRWMYQLURQHNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-19-15-9-11(5-7-13(15)17)12-6-8-14(18)16(10-12)20-4-2/h5-10H,3-4,17-18H2,1-2H3.
What are the key properties of 4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline?
4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline has a molecular weight of 272.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-ethoxyphenyl)-2-ethoxyaniline is sourced from PubChem (CID 974772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).