N,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine

C15H23NO2 — CID 53304510

IUPACN,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine
SMILESCN(C)CCC[C@@H]1CCO[C@H](c2ccccc2)O1
InChIInChI=1S/C15H23NO2/c1-16(2)11-6-9-14-10-12-17-15(18-14)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyNJXMZJKKFDXHRC-CABCVRRESA-N
MW249.35 g/mol
LogP2.83
Rot. Bonds5

About N,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine

N,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine (PubChem CID 53304510) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine
PubChem CID53304510
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine
SMILESCN(C)CCC[C@@H]1CCO[C@H](c2ccccc2)O1
InChIInChI=1S/C15H23NO2/c1-16(2)11-6-9-14-10-12-17-15(18-14)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyNJXMZJKKFDXHRC-CABCVRRESA-N
XLogP2.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine (CID 53304510) is N,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine is CN(C)CCC[C@@H]1CCO[C@H](c2ccccc2)O1.
What is the InChIKey of N,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine?
The InChIKey is NJXMZJKKFDXHRC-CABCVRRESA-N. The full InChI is InChI=1S/C15H23NO2/c1-16(2)11-6-9-14-10-12-17-15(18-14)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of N,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine?
N,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propan-1-amine is sourced from PubChem (CID 53304510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).