6-(2-aminophenyl)-2,3-diethoxyaniline

C16H20N2O2 — CID 175397921

IUPAC6-(2-aminophenyl)-2,3-diethoxyaniline
SMILESCCOc1ccc(-c2ccccc2N)c(N)c1OCC
InChIInChI=1S/C16H20N2O2/c1-3-19-14-10-9-12(15(18)16(14)20-4-2)11-7-5-6-8-13(11)17/h5-10H,3-4,17-18H2,1-2H3
InChIKeyDUHJAPOAKKNAQT-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.32
Rot. Bonds5

About 6-(2-aminophenyl)-2,3-diethoxyaniline

6-(2-aminophenyl)-2,3-diethoxyaniline (PubChem CID 175397921) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-(2-aminophenyl)-2,3-diethoxyaniline.

Molecular Properties

Compound Name6-(2-aminophenyl)-2,3-diethoxyaniline
PubChem CID175397921
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name6-(2-aminophenyl)-2,3-diethoxyaniline
SMILESCCOc1ccc(-c2ccccc2N)c(N)c1OCC
InChIInChI=1S/C16H20N2O2/c1-3-19-14-10-9-12(15(18)16(14)20-4-2)11-7-5-6-8-13(11)17/h5-10H,3-4,17-18H2,1-2H3
InChIKeyDUHJAPOAKKNAQT-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 6-(2-aminophenyl)-2,3-diethoxyaniline?
The IUPAC name of 6-(2-aminophenyl)-2,3-diethoxyaniline (CID 175397921) is 6-(2-aminophenyl)-2,3-diethoxyaniline.
What is the SMILES notation for 6-(2-aminophenyl)-2,3-diethoxyaniline?
The canonical SMILES for 6-(2-aminophenyl)-2,3-diethoxyaniline is CCOc1ccc(-c2ccccc2N)c(N)c1OCC.
What is the InChIKey of 6-(2-aminophenyl)-2,3-diethoxyaniline?
The InChIKey is DUHJAPOAKKNAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-19-14-10-9-12(15(18)16(14)20-4-2)11-7-5-6-8-13(11)17/h5-10H,3-4,17-18H2,1-2H3.
What are the key properties of 6-(2-aminophenyl)-2,3-diethoxyaniline?
6-(2-aminophenyl)-2,3-diethoxyaniline 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 6-(2-aminophenyl)-2,3-diethoxyaniline is sourced from PubChem (CID 175397921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).