N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine

C12H17NO2 — CID 58287035

IUPACN-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine
SMILESCNCC1CCOC(c2ccccc2)O1
InChIInChI=1S/C12H17NO2/c1-13-9-11-7-8-14-12(15-11)10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3
InChIKeyFZKHAGVVRXTUAL-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.71
Rot. Bonds3

About N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine

N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine (PubChem CID 58287035) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine
PubChem CID58287035
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine
SMILESCNCC1CCOC(c2ccccc2)O1
InChIInChI=1S/C12H17NO2/c1-13-9-11-7-8-14-12(15-11)10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3
InChIKeyFZKHAGVVRXTUAL-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine (CID 58287035) is N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine is CNCC1CCOC(c2ccccc2)O1.
What is the InChIKey of N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine?
The InChIKey is FZKHAGVVRXTUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-9-11-7-8-14-12(15-11)10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3.
What are the key properties of N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine?
N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine has a molecular weight of 207.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine is sourced from PubChem (CID 58287035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).