2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine

C25H26F2N2O2 — CID 10717213

IUPAC2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine
SMILESCN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CC1CNc2ccccc2O1
InChIInChI=1S/C25H26F2N2O2/c1-29(17-22-16-28-23-4-2-3-5-24(23)31-22)14-15-30-25(18-6-10-20(26)11-7-18)19-8-12-21(27)13-9-19/h2-13,22,25,28H,14-17H2,1H3
InChIKeyDUHMPJNIEFUIMW-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.88
Rot. Bonds8

About 2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine

2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine (PubChem CID 10717213) has the molecular formula C25H26F2N2O2 and a molecular weight of 424.49 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine
PubChem CID10717213
Molecular FormulaC25H26F2N2O2
Molecular Weight424.49 g/mol
Exact Mass424.20
IUPAC Name2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine
SMILESCN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CC1CNc2ccccc2O1
InChIInChI=1S/C25H26F2N2O2/c1-29(17-22-16-28-23-4-2-3-5-24(23)31-22)14-15-30-25(18-6-10-20(26)11-7-18)19-8-12-21(27)13-9-19/h2-13,22,25,28H,14-17H2,1H3
InChIKeyDUHMPJNIEFUIMW-UHFFFAOYSA-N
XLogP4.88
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine?
The IUPAC name of 2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine (CID 10717213) is 2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine?
The canonical SMILES for 2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine is CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CC1CNc2ccccc2O1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine?
The InChIKey is DUHMPJNIEFUIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O2/c1-29(17-22-16-28-23-4-2-3-5-24(23)31-22)14-15-30-25(18-6-10-20(26)11-7-18)19-8-12-21(27)13-9-19/h2-13,22,25,28H,14-17H2,1H3.
What are the key properties of 2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine?
2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine has a molecular weight of 424.49 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine is sourced from PubChem (CID 10717213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).