4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline

C19H23NO3 — CID 11833975

IUPAC4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline
SMILESc1ccc(Nc2ccc(OCCOC3CCCCO3)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-2-6-16(7-3-1)20-17-9-11-18(12-10-17)21-14-15-23-19-8-4-5-13-22-19/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2
InChIKeyOHJRBQSWJQDWKJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.35
Rot. Bonds7

About 4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline

4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline (PubChem CID 11833975) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline.

Molecular Properties

Compound Name4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline
PubChem CID11833975
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline
SMILESc1ccc(Nc2ccc(OCCOC3CCCCO3)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-2-6-16(7-3-1)20-17-9-11-18(12-10-17)21-14-15-23-19-8-4-5-13-22-19/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2
InChIKeyOHJRBQSWJQDWKJ-UHFFFAOYSA-N
XLogP4.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline?
The IUPAC name of 4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline (CID 11833975) is 4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline.
What is the SMILES notation for 4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline?
The canonical SMILES for 4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline is c1ccc(Nc2ccc(OCCOC3CCCCO3)cc2)cc1.
What is the InChIKey of 4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline?
The InChIKey is OHJRBQSWJQDWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-6-16(7-3-1)20-17-9-11-18(12-10-17)21-14-15-23-19-8-4-5-13-22-19/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2.
What are the key properties of 4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline?
4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline has a molecular weight of 313.40 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxan-2-yloxy)ethoxy]-N-phenylaniline is sourced from PubChem (CID 11833975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).