N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine

C25H27NO3 — CID 11049096

IUPACN-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine
SMILESCN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C25H27NO3/c1-26(17-18-27-23-15-9-4-10-16-23)19-24-20-28-25(29-24,21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,24H,17-20H2,1H3
InChIKeyMYMXZYVALFYXSE-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.31
Rot. Bonds8

About N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine

N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine (PubChem CID 11049096) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine.

Molecular Properties

Compound NameN-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine
PubChem CID11049096
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC NameN-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine
SMILESCN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C25H27NO3/c1-26(17-18-27-23-15-9-4-10-16-23)19-24-20-28-25(29-24,21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,24H,17-20H2,1H3
InChIKeyMYMXZYVALFYXSE-UHFFFAOYSA-N
XLogP4.31
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine?
The IUPAC name of N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine (CID 11049096) is N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine.
What is the SMILES notation for N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine?
The canonical SMILES for N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine is CN(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine?
The InChIKey is MYMXZYVALFYXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-26(17-18-27-23-15-9-4-10-16-23)19-24-20-28-25(29-24,21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,24H,17-20H2,1H3.
What are the key properties of N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine?
N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine has a molecular weight of 389.50 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-N-methyl-2-phenoxyethanamine is sourced from PubChem (CID 11049096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).