N-[1,4-dioxan-2-yl(phenyl)methyl]aniline

C17H19NO2 — CID 15120419

IUPACN-[1,4-dioxan-2-yl(phenyl)methyl]aniline
SMILESc1ccc(NC(c2ccccc2)C2COCCO2)cc1
InChIInChI=1S/C17H19NO2/c1-3-7-14(8-4-1)17(16-13-19-11-12-20-16)18-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2
InChIKeyAPSRQPWVNCSCRK-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.26
Rot. Bonds4

About N-[1,4-dioxan-2-yl(phenyl)methyl]aniline

N-[1,4-dioxan-2-yl(phenyl)methyl]aniline (PubChem CID 15120419) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[1,4-dioxan-2-yl(phenyl)methyl]aniline.

Molecular Properties

Compound NameN-[1,4-dioxan-2-yl(phenyl)methyl]aniline
PubChem CID15120419
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[1,4-dioxan-2-yl(phenyl)methyl]aniline
SMILESc1ccc(NC(c2ccccc2)C2COCCO2)cc1
InChIInChI=1S/C17H19NO2/c1-3-7-14(8-4-1)17(16-13-19-11-12-20-16)18-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2
InChIKeyAPSRQPWVNCSCRK-UHFFFAOYSA-N
XLogP3.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1,4-dioxan-2-yl(phenyl)methyl]aniline?
The IUPAC name of N-[1,4-dioxan-2-yl(phenyl)methyl]aniline (CID 15120419) is N-[1,4-dioxan-2-yl(phenyl)methyl]aniline.
What is the SMILES notation for N-[1,4-dioxan-2-yl(phenyl)methyl]aniline?
The canonical SMILES for N-[1,4-dioxan-2-yl(phenyl)methyl]aniline is c1ccc(NC(c2ccccc2)C2COCCO2)cc1.
What is the InChIKey of N-[1,4-dioxan-2-yl(phenyl)methyl]aniline?
The InChIKey is APSRQPWVNCSCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-7-14(8-4-1)17(16-13-19-11-12-20-16)18-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2.
What are the key properties of N-[1,4-dioxan-2-yl(phenyl)methyl]aniline?
N-[1,4-dioxan-2-yl(phenyl)methyl]aniline has a molecular weight of 269.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dioxan-2-yl(phenyl)methyl]aniline is sourced from PubChem (CID 15120419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).