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

C14H21NO2 — CID 53304341

IUPACN,N-dimethyl-2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine
SMILESCN(C)CC[C@@H]1CCO[C@H](c2ccccc2)O1
InChIInChI=1S/C14H21NO2/c1-15(2)10-8-13-9-11-16-14(17-13)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyIGVOGMNWIBGCRX-KGLIPLIRSA-N
MW235.33 g/mol
LogP2.44
Rot. Bonds4

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

N,N-dimethyl-2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine (PubChem CID 53304341) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine
PubChem CID53304341
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN,N-dimethyl-2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine
SMILESCN(C)CC[C@@H]1CCO[C@H](c2ccccc2)O1
InChIInChI=1S/C14H21NO2/c1-15(2)10-8-13-9-11-16-14(17-13)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyIGVOGMNWIBGCRX-KGLIPLIRSA-N
XLogP2.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine (CID 53304341) is N,N-dimethyl-2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine is CN(C)CC[C@@H]1CCO[C@H](c2ccccc2)O1.
What is the InChIKey of N,N-dimethyl-2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine?
The InChIKey is IGVOGMNWIBGCRX-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15(2)10-8-13-9-11-16-14(17-13)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of N,N-dimethyl-2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine?
N,N-dimethyl-2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]ethanamine is sourced from PubChem (CID 53304341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).