[2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine

C17H19NO2 — CID 151259025

IUPAC[2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine
SMILESNCc1ccccc1C1COC(c2ccccc2)CO1
InChIInChI=1S/C17H19NO2/c18-10-14-8-4-5-9-15(14)17-12-19-16(11-20-17)13-6-2-1-3-7-13/h1-9,16-17H,10-12,18H2
InChIKeyNTYRUMSGULJYES-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.97
Rot. Bonds3

About [2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine

[2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine (PubChem CID 151259025) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine
PubChem CID151259025
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine
SMILESNCc1ccccc1C1COC(c2ccccc2)CO1
InChIInChI=1S/C17H19NO2/c18-10-14-8-4-5-9-15(14)17-12-19-16(11-20-17)13-6-2-1-3-7-13/h1-9,16-17H,10-12,18H2
InChIKeyNTYRUMSGULJYES-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine?
The IUPAC name of [2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine (CID 151259025) is [2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine.
What is the SMILES notation for [2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine?
The canonical SMILES for [2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine is NCc1ccccc1C1COC(c2ccccc2)CO1.
What is the InChIKey of [2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine?
The InChIKey is NTYRUMSGULJYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c18-10-14-8-4-5-9-15(14)17-12-19-16(11-20-17)13-6-2-1-3-7-13/h1-9,16-17H,10-12,18H2.
What are the key properties of [2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine?
[2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine has a molecular weight of 269.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-phenyl-1,4-dioxan-2-yl)phenyl]methanamine is sourced from PubChem (CID 151259025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).