5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline

C21H23NO2 — CID 10519814

IUPAC5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline
SMILESC=CCOc1ccc(Oc2ccccc2)cc1N(CC=C)CC=C
InChIInChI=1S/C21H23NO2/c1-4-14-22(15-5-2)20-17-19(12-13-21(20)23-16-6-3)24-18-10-8-7-9-11-18/h4-13,17H,1-3,14-16H2
InChIKeyMFVVRWCRSPRLCO-UHFFFAOYSA-N
MW321.42 g/mol
LogP5.22
Rot. Bonds10

About 5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline

5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline (PubChem CID 10519814) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline
PubChem CID10519814
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline
SMILESC=CCOc1ccc(Oc2ccccc2)cc1N(CC=C)CC=C
InChIInChI=1S/C21H23NO2/c1-4-14-22(15-5-2)20-17-19(12-13-21(20)23-16-6-3)24-18-10-8-7-9-11-18/h4-13,17H,1-3,14-16H2
InChIKeyMFVVRWCRSPRLCO-UHFFFAOYSA-N
XLogP5.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline?
The IUPAC name of 5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline (CID 10519814) is 5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline.
What is the SMILES notation for 5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline?
The canonical SMILES for 5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline is C=CCOc1ccc(Oc2ccccc2)cc1N(CC=C)CC=C.
What is the InChIKey of 5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline?
The InChIKey is MFVVRWCRSPRLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-4-14-22(15-5-2)20-17-19(12-13-21(20)23-16-6-3)24-18-10-8-7-9-11-18/h4-13,17H,1-3,14-16H2.
What are the key properties of 5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline?
5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline has a molecular weight of 321.42 g/mol, XLogP of 5.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline is sourced from PubChem (CID 10519814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).