5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol

C16H19NO3 — CID 106658523

IUPAC5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol
SMILESCC1(C)OCC(Nc2cccc3c(O)cccc23)CO1
InChIInChI=1S/C16H19NO3/c1-16(2)19-9-11(10-20-16)17-14-7-3-6-13-12(14)5-4-8-15(13)18/h3-8,11,17-18H,9-10H2,1-2H3
InChIKeyFDDPNSVJVNFFJB-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.11
Rot. Bonds2

About 5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol

5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol (PubChem CID 106658523) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol.

Molecular Properties

Compound Name5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol
PubChem CID106658523
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol
SMILESCC1(C)OCC(Nc2cccc3c(O)cccc23)CO1
InChIInChI=1S/C16H19NO3/c1-16(2)19-9-11(10-20-16)17-14-7-3-6-13-12(14)5-4-8-15(13)18/h3-8,11,17-18H,9-10H2,1-2H3
InChIKeyFDDPNSVJVNFFJB-UHFFFAOYSA-N
XLogP3.11
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol?
The IUPAC name of 5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol (CID 106658523) is 5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol.
What is the SMILES notation for 5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol?
The canonical SMILES for 5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol is CC1(C)OCC(Nc2cccc3c(O)cccc23)CO1.
What is the InChIKey of 5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol?
The InChIKey is FDDPNSVJVNFFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-16(2)19-9-11(10-20-16)17-14-7-3-6-13-12(14)5-4-8-15(13)18/h3-8,11,17-18H,9-10H2,1-2H3.
What are the key properties of 5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol?
5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol has a molecular weight of 273.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]naphthalen-1-ol is sourced from PubChem (CID 106658523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).