2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine

C16H25NO2 — CID 53304505

IUPAC2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine
SMILESCC[C@@]1(c2ccccc2)OCC[C@@H](CCN(C)C)O1
InChIInChI=1S/C16H25NO2/c1-4-16(14-8-6-5-7-9-14)18-13-11-15(19-16)10-12-17(2)3/h5-9,15H,4,10-13H2,1-3H3/t15-,16-/m1/s1
InChIKeyOUCHKVDZABORQN-HZPDHXFCSA-N
MW263.38 g/mol
LogP3.01
Rot. Bonds5

About 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine

2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine (PubChem CID 53304505) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine
PubChem CID53304505
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine
SMILESCC[C@@]1(c2ccccc2)OCC[C@@H](CCN(C)C)O1
InChIInChI=1S/C16H25NO2/c1-4-16(14-8-6-5-7-9-14)18-13-11-15(19-16)10-12-17(2)3/h5-9,15H,4,10-13H2,1-3H3/t15-,16-/m1/s1
InChIKeyOUCHKVDZABORQN-HZPDHXFCSA-N
XLogP3.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine (CID 53304505) is 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine is CC[C@@]1(c2ccccc2)OCC[C@@H](CCN(C)C)O1.
What is the InChIKey of 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine?
The InChIKey is OUCHKVDZABORQN-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-16(14-8-6-5-7-9-14)18-13-11-15(19-16)10-12-17(2)3/h5-9,15H,4,10-13H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine?
2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-2-ethyl-2-phenyl-1,3-dioxan-4-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 53304505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).