2-benzyl-N-methyl-1,4-dioxan-2-amine

C12H17NO2 — CID 57226129

IUPAC2-benzyl-N-methyl-1,4-dioxan-2-amine
SMILESCNC1(Cc2ccccc2)COCCO1
InChIInChI=1S/C12H17NO2/c1-13-12(10-14-7-8-15-12)9-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3
InChIKeyVTDLAHWIVVZKAA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.19
Rot. Bonds3

About 2-benzyl-N-methyl-1,4-dioxan-2-amine

2-benzyl-N-methyl-1,4-dioxan-2-amine (PubChem CID 57226129) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-benzyl-N-methyl-1,4-dioxan-2-amine.

Molecular Properties

Compound Name2-benzyl-N-methyl-1,4-dioxan-2-amine
PubChem CID57226129
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-benzyl-N-methyl-1,4-dioxan-2-amine
SMILESCNC1(Cc2ccccc2)COCCO1
InChIInChI=1S/C12H17NO2/c1-13-12(10-14-7-8-15-12)9-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3
InChIKeyVTDLAHWIVVZKAA-UHFFFAOYSA-N
XLogP1.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-methyl-1,4-dioxan-2-amine?
The IUPAC name of 2-benzyl-N-methyl-1,4-dioxan-2-amine (CID 57226129) is 2-benzyl-N-methyl-1,4-dioxan-2-amine.
What is the SMILES notation for 2-benzyl-N-methyl-1,4-dioxan-2-amine?
The canonical SMILES for 2-benzyl-N-methyl-1,4-dioxan-2-amine is CNC1(Cc2ccccc2)COCCO1.
What is the InChIKey of 2-benzyl-N-methyl-1,4-dioxan-2-amine?
The InChIKey is VTDLAHWIVVZKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-12(10-14-7-8-15-12)9-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3.
What are the key properties of 2-benzyl-N-methyl-1,4-dioxan-2-amine?
2-benzyl-N-methyl-1,4-dioxan-2-amine has a molecular weight of 207.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-methyl-1,4-dioxan-2-amine is sourced from PubChem (CID 57226129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).