4-phenoxy-N-phenylaniline

C18H15NO — CID 11032664

IUPAC4-phenoxy-N-phenylaniline
SMILESc1ccc(Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C18H15NO/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)20-17-9-5-2-6-10-17/h1-14,19H
InChIKeyPNKPBOVZCYRQQO-UHFFFAOYSA-N
MW261.32 g/mol
LogP5.22
Rot. Bonds4

About 4-phenoxy-N-phenylaniline

4-phenoxy-N-phenylaniline (PubChem CID 11032664) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-phenoxy-N-phenylaniline.

Molecular Properties

Compound Name4-phenoxy-N-phenylaniline
PubChem CID11032664
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name4-phenoxy-N-phenylaniline
SMILESc1ccc(Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C18H15NO/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)20-17-9-5-2-6-10-17/h1-14,19H
InChIKeyPNKPBOVZCYRQQO-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.32
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-phenylaniline?
The IUPAC name of 4-phenoxy-N-phenylaniline (CID 11032664) is 4-phenoxy-N-phenylaniline.
What is the SMILES notation for 4-phenoxy-N-phenylaniline?
The canonical SMILES for 4-phenoxy-N-phenylaniline is c1ccc(Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 4-phenoxy-N-phenylaniline?
The InChIKey is PNKPBOVZCYRQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)20-17-9-5-2-6-10-17/h1-14,19H.
What are the key properties of 4-phenoxy-N-phenylaniline?
4-phenoxy-N-phenylaniline has a molecular weight of 261.32 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-phenylaniline is sourced from PubChem (CID 11032664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).