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

C25H27NO4 — CID 10363912

IUPACN-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine
SMILESCOc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C25H27NO4/c1-27-23-14-8-9-15-24(23)28-17-16-26-18-22-19-29-25(30-22,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,26H,16-19H2,1H3
InChIKeyODHPQKBPZNUARX-UHFFFAOYSA-N
MW405.49 g/mol
LogP3.98
Rot. Bonds9

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

N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine (PubChem CID 10363912) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine
PubChem CID10363912
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC NameN-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine
SMILESCOc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C25H27NO4/c1-27-23-14-8-9-15-24(23)28-17-16-26-18-22-19-29-25(30-22,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,26H,16-19H2,1H3
InChIKeyODHPQKBPZNUARX-UHFFFAOYSA-N
XLogP3.98
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine?
The IUPAC name of N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine (CID 10363912) is N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine.
What is the SMILES notation for N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine?
The canonical SMILES for N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine is COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine?
The InChIKey is ODHPQKBPZNUARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-27-23-14-8-9-15-24(23)28-17-16-26-18-22-19-29-25(30-22,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,26H,16-19H2,1H3.
What are the key properties of N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine?
N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine has a molecular weight of 405.49 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine is sourced from PubChem (CID 10363912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).