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

C17H19NO2 — CID 54587252

IUPAC[(4S)-2,2-diphenyl-1,3-dioxan-4-yl]methanamine
SMILESNC[C@@H]1CCOC(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/t16-/m0/s1
InChIKeyUAYAHUAGYNBAFZ-INIZCTEOSA-N
MW269.34 g/mol
LogP2.65
Rot. Bonds3

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

[(4S)-2,2-diphenyl-1,3-dioxan-4-yl]methanamine (PubChem CID 54587252) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [(4S)-2,2-diphenyl-1,3-dioxan-4-yl]methanamine.

Molecular Properties

Compound Name[(4S)-2,2-diphenyl-1,3-dioxan-4-yl]methanamine
PubChem CID54587252
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[(4S)-2,2-diphenyl-1,3-dioxan-4-yl]methanamine
SMILESNC[C@@H]1CCOC(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/t16-/m0/s1
InChIKeyUAYAHUAGYNBAFZ-INIZCTEOSA-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 [(4S)-2,2-diphenyl-1,3-dioxan-4-yl]methanamine?
The IUPAC name of [(4S)-2,2-diphenyl-1,3-dioxan-4-yl]methanamine (CID 54587252) is [(4S)-2,2-diphenyl-1,3-dioxan-4-yl]methanamine.
What is the SMILES notation for [(4S)-2,2-diphenyl-1,3-dioxan-4-yl]methanamine?
The canonical SMILES for [(4S)-2,2-diphenyl-1,3-dioxan-4-yl]methanamine is NC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of [(4S)-2,2-diphenyl-1,3-dioxan-4-yl]methanamine?
The InChIKey is UAYAHUAGYNBAFZ-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of [(4S)-2,2-diphenyl-1,3-dioxan-4-yl]methanamine?
[(4S)-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 [(4S)-2,2-diphenyl-1,3-dioxan-4-yl]methanamine is sourced from PubChem (CID 54587252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).