[5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C21H27NO3 — CID 59470600

IUPAC[5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC(CO)C(CN(Cc2ccccc2)Cc2ccccc2)O1
InChIInChI=1S/C21H27NO3/c1-21(2)24-19(20(16-23)25-21)15-22(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,19-20,23H,13-16H2,1-2H3
InChIKeyYYJIKPCVNGLMGB-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.20
Rot. Bonds7

About [5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 59470600) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is [5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID59470600
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name[5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC(CO)C(CN(Cc2ccccc2)Cc2ccccc2)O1
InChIInChI=1S/C21H27NO3/c1-21(2)24-19(20(16-23)25-21)15-22(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,19-20,23H,13-16H2,1-2H3
InChIKeyYYJIKPCVNGLMGB-UHFFFAOYSA-N
XLogP3.20
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 59470600) is [5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)OC(CO)C(CN(Cc2ccccc2)Cc2ccccc2)O1.
What is the InChIKey of [5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is YYJIKPCVNGLMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-21(2)24-19(20(16-23)25-21)15-22(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,19-20,23H,13-16H2,1-2H3.
What are the key properties of [5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 341.45 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dibenzylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 59470600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).