(2,2-diphenyl-1,3-dioxan-4-yl)methanamine

C17H19NO2 — CID 10061625

IUPAC(2,2-diphenyl-1,3-dioxan-4-yl)methanamine
SMILESNCC1CCOC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C17H19NO2/c18-13-16-11-12-19-17(20-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13,18H2
InChIKeyUAYAHUAGYNBAFZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.65
Rot. Bonds3

About (2,2-diphenyl-1,3-dioxan-4-yl)methanamine

(2,2-diphenyl-1,3-dioxan-4-yl)methanamine (PubChem CID 10061625) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2,2-diphenyl-1,3-dioxan-4-yl)methanamine.

Molecular Properties

Compound Name(2,2-diphenyl-1,3-dioxan-4-yl)methanamine
PubChem CID10061625
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2,2-diphenyl-1,3-dioxan-4-yl)methanamine
SMILESNCC1CCOC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C17H19NO2/c18-13-16-11-12-19-17(20-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13,18H2
InChIKeyUAYAHUAGYNBAFZ-UHFFFAOYSA-N
XLogP2.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-diphenyl-1,3-dioxan-4-yl)methanamine?
The IUPAC name of (2,2-diphenyl-1,3-dioxan-4-yl)methanamine (CID 10061625) is (2,2-diphenyl-1,3-dioxan-4-yl)methanamine.
What is the SMILES notation for (2,2-diphenyl-1,3-dioxan-4-yl)methanamine?
The canonical SMILES for (2,2-diphenyl-1,3-dioxan-4-yl)methanamine is NCC1CCOC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of (2,2-diphenyl-1,3-dioxan-4-yl)methanamine?
The InChIKey is UAYAHUAGYNBAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c18-13-16-11-12-19-17(20-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-13,18H2.
What are the key properties of (2,2-diphenyl-1,3-dioxan-4-yl)methanamine?
(2,2-diphenyl-1,3-dioxan-4-yl)methanamine has a molecular weight of 269.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diphenyl-1,3-dioxan-4-yl)methanamine is sourced from PubChem (CID 10061625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).