4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline

C20H26N2O2 — CID 15259611

IUPAC4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OCCCO2)cc1
InChIInChI=1S/C20H26N2O2/c1-21(2)18-10-6-16(7-11-18)20(23-14-5-15-24-20)17-8-12-19(13-9-17)22(3)4/h6-13H,5,14-15H2,1-4H3
InChIKeyALMLIWDZZLJYOG-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.46
Rot. Bonds4

About 4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline

4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline (PubChem CID 15259611) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline
PubChem CID15259611
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OCCCO2)cc1
InChIInChI=1S/C20H26N2O2/c1-21(2)18-10-6-16(7-11-18)20(23-14-5-15-24-20)17-8-12-19(13-9-17)22(3)4/h6-13H,5,14-15H2,1-4H3
InChIKeyALMLIWDZZLJYOG-UHFFFAOYSA-N
XLogP3.46
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline (CID 15259611) is 4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OCCCO2)cc1.
What is the InChIKey of 4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline?
The InChIKey is ALMLIWDZZLJYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-21(2)18-10-6-16(7-11-18)20(23-14-5-15-24-20)17-8-12-19(13-9-17)22(3)4/h6-13H,5,14-15H2,1-4H3.
What are the key properties of 4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline?
4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline has a molecular weight of 326.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 15259611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).