N-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine

C24H25NO2 — CID 122195368

IUPACN-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine
SMILESc1ccc(CNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C24H25NO2/c1-4-10-20(11-5-1)18-25-19-23-16-17-26-24(27-23,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,25H,16-19H2
InChIKeyGQYRZFAINHVYIL-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.48
Rot. Bonds6

About N-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine

N-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine (PubChem CID 122195368) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine
PubChem CID122195368
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC NameN-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine
SMILESc1ccc(CNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C24H25NO2/c1-4-10-20(11-5-1)18-25-19-23-16-17-26-24(27-23,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,25H,16-19H2
InChIKeyGQYRZFAINHVYIL-UHFFFAOYSA-N
XLogP4.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine?
The IUPAC name of N-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine (CID 122195368) is N-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine.
What is the SMILES notation for N-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine?
The canonical SMILES for N-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine is c1ccc(CNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1.
What is the InChIKey of N-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine?
The InChIKey is GQYRZFAINHVYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-4-10-20(11-5-1)18-25-19-23-16-17-26-24(27-23,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,25H,16-19H2.
What are the key properties of N-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine?
N-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine has a molecular weight of 359.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,2-diphenyl-1,3-dioxan-4-yl)methanamine is sourced from PubChem (CID 122195368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).