4-(4-aminophenyl)-2,3-diethoxyaniline

C16H20N2O2 — CID 18990718

IUPAC4-(4-aminophenyl)-2,3-diethoxyaniline
SMILESCCOc1c(N)ccc(-c2ccc(N)cc2)c1OCC
InChIInChI=1S/C16H20N2O2/c1-3-19-15-13(11-5-7-12(17)8-6-11)9-10-14(18)16(15)20-4-2/h5-10H,3-4,17-18H2,1-2H3
InChIKeyHDIHEQXKANISQN-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.32
Rot. Bonds5

About 4-(4-aminophenyl)-2,3-diethoxyaniline

4-(4-aminophenyl)-2,3-diethoxyaniline (PubChem CID 18990718) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,3-diethoxyaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,3-diethoxyaniline
PubChem CID18990718
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-(4-aminophenyl)-2,3-diethoxyaniline
SMILESCCOc1c(N)ccc(-c2ccc(N)cc2)c1OCC
InChIInChI=1S/C16H20N2O2/c1-3-19-15-13(11-5-7-12(17)8-6-11)9-10-14(18)16(15)20-4-2/h5-10H,3-4,17-18H2,1-2H3
InChIKeyHDIHEQXKANISQN-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-aminophenyl)-2,3-diethoxyaniline?
The IUPAC name of 4-(4-aminophenyl)-2,3-diethoxyaniline (CID 18990718) is 4-(4-aminophenyl)-2,3-diethoxyaniline.
What is the SMILES notation for 4-(4-aminophenyl)-2,3-diethoxyaniline?
The canonical SMILES for 4-(4-aminophenyl)-2,3-diethoxyaniline is CCOc1c(N)ccc(-c2ccc(N)cc2)c1OCC.
What is the InChIKey of 4-(4-aminophenyl)-2,3-diethoxyaniline?
The InChIKey is HDIHEQXKANISQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-19-15-13(11-5-7-12(17)8-6-11)9-10-14(18)16(15)20-4-2/h5-10H,3-4,17-18H2,1-2H3.
What are the key properties of 4-(4-aminophenyl)-2,3-diethoxyaniline?
4-(4-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 4-(4-aminophenyl)-2,3-diethoxyaniline is sourced from PubChem (CID 18990718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).