4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline

C18H19NO4 — CID 86258852

IUPAC4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline
SMILESc1cc(C2OCCO2)ccc1Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C18H19NO4/c1-5-15(6-2-13(1)17-20-9-10-21-17)19-16-7-3-14(4-8-16)18-22-11-12-23-18/h1-8,17-19H,9-12H2
InChIKeyVBVUPRSFFOGHIX-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.52
Rot. Bonds4

About 4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline

4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline (PubChem CID 86258852) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline
PubChem CID86258852
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline
SMILESc1cc(C2OCCO2)ccc1Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C18H19NO4/c1-5-15(6-2-13(1)17-20-9-10-21-17)19-16-7-3-14(4-8-16)18-22-11-12-23-18/h1-8,17-19H,9-12H2
InChIKeyVBVUPRSFFOGHIX-UHFFFAOYSA-N
XLogP3.52
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline (CID 86258852) is 4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline is c1cc(C2OCCO2)ccc1Nc1ccc(C2OCCO2)cc1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline?
The InChIKey is VBVUPRSFFOGHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-5-15(6-2-13(1)17-20-9-10-21-17)19-16-7-3-14(4-8-16)18-22-11-12-23-18/h1-8,17-19H,9-12H2.
What are the key properties of 4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline?
4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline has a molecular weight of 313.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline is sourced from PubChem (CID 86258852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).