(4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine

C13H19NO2 — CID 2733140

IUPAC(4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine
SMILESCN[C@H]1COC(C)(C)O[C@H]1c1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(2)15-9-11(14-3)12(16-13)10-7-5-4-6-8-10/h4-8,11-12,14H,9H2,1-3H3/t11-,12-/m0/s1
InChIKeyOLDLOVICBLVDFQ-RYUDHWBXSA-N
MW221.30 g/mol
LogP2.10
Rot. Bonds2

About (4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine

(4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine (PubChem CID 2733140) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine.

Molecular Properties

Compound Name(4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine
PubChem CID2733140
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine
SMILESCN[C@H]1COC(C)(C)O[C@H]1c1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(2)15-9-11(14-3)12(16-13)10-7-5-4-6-8-10/h4-8,11-12,14H,9H2,1-3H3/t11-,12-/m0/s1
InChIKeyOLDLOVICBLVDFQ-RYUDHWBXSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine?
The IUPAC name of (4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine (CID 2733140) is (4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine.
What is the SMILES notation for (4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine?
The canonical SMILES for (4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine is CN[C@H]1COC(C)(C)O[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine?
The InChIKey is OLDLOVICBLVDFQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2)15-9-11(14-3)12(16-13)10-7-5-4-6-8-10/h4-8,11-12,14H,9H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine?
(4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine has a molecular weight of 221.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-N,2,2-trimethyl-4-phenyl-1,3-dioxan-5-amine is sourced from PubChem (CID 2733140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).