3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine

C19H23NO2 — CID 54586225

IUPAC3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine
SMILESNCCC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C19H23NO2/c20-14-7-12-18-13-15-21-19(22-18,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15,20H2/t18-/m1/s1
InChIKeyBDXMJDLZWRKGJF-GOSISDBHSA-N
MW297.40 g/mol
LogP3.43
Rot. Bonds5

About 3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine

3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine (PubChem CID 54586225) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine
PubChem CID54586225
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine
SMILESNCCC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C19H23NO2/c20-14-7-12-18-13-15-21-19(22-18,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15,20H2/t18-/m1/s1
InChIKeyBDXMJDLZWRKGJF-GOSISDBHSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine?
The IUPAC name of 3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine (CID 54586225) is 3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine.
What is the SMILES notation for 3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine?
The canonical SMILES for 3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine is NCCC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine?
The InChIKey is BDXMJDLZWRKGJF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NO2/c20-14-7-12-18-13-15-21-19(22-18,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15,20H2/t18-/m1/s1.
What are the key properties of 3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine?
3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2,2-diphenyl-1,3-dioxan-4-yl]propan-1-amine is sourced from PubChem (CID 54586225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).