N-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine

C25H27NO2 — CID 122195267

IUPACN-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine
SMILESc1ccc(CNCCC2COC(c3ccccc3)(c3ccccc3)CO2)cc1
InChIInChI=1S/C25H27NO2/c1-4-10-21(11-5-1)18-26-17-16-24-19-28-25(20-27-24,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24,26H,16-20H2
InChIKeyMQXZNBYJMAMDBU-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.53
Rot. Bonds7

About N-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine

N-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine (PubChem CID 122195267) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine
PubChem CID122195267
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC NameN-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine
SMILESc1ccc(CNCCC2COC(c3ccccc3)(c3ccccc3)CO2)cc1
InChIInChI=1S/C25H27NO2/c1-4-10-21(11-5-1)18-26-17-16-24-19-28-25(20-27-24,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24,26H,16-20H2
InChIKeyMQXZNBYJMAMDBU-UHFFFAOYSA-N
XLogP4.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine?
The IUPAC name of N-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine (CID 122195267) is N-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine.
What is the SMILES notation for N-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine?
The canonical SMILES for N-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine is c1ccc(CNCCC2COC(c3ccccc3)(c3ccccc3)CO2)cc1.
What is the InChIKey of N-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine?
The InChIKey is MQXZNBYJMAMDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-4-10-21(11-5-1)18-26-17-16-24-19-28-25(20-27-24,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24,26H,16-20H2.
What are the key properties of N-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine?
N-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine has a molecular weight of 373.50 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine is sourced from PubChem (CID 122195267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).