3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine

C28H26F2N2O — CID 132598684

IUPAC3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine
SMILESCC1(C)COC(N)(c2ccc3ccccc3c2)C(c2ccc(F)cc2)(c2ccc(F)cc2)N1
InChIInChI=1S/C28H26F2N2O/c1-26(2)18-33-28(31,23-8-7-19-5-3-4-6-20(19)17-23)27(32-26,21-9-13-24(29)14-10-21)22-11-15-25(30)16-12-22/h3-17,32H,18,31H2,1-2H3
InChIKeyKDZWWWKXGLVNLL-UHFFFAOYSA-N
MW444.53 g/mol
LogP5.57
Rot. Bonds3

About 3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine

3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine (PubChem CID 132598684) has the molecular formula C28H26F2N2O and a molecular weight of 444.53 g/mol. Its IUPAC name is 3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine.

Molecular Properties

Compound Name3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine
PubChem CID132598684
Molecular FormulaC28H26F2N2O
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Name3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine
SMILESCC1(C)COC(N)(c2ccc3ccccc3c2)C(c2ccc(F)cc2)(c2ccc(F)cc2)N1
InChIInChI=1S/C28H26F2N2O/c1-26(2)18-33-28(31,23-8-7-19-5-3-4-6-20(19)17-23)27(32-26,21-9-13-24(29)14-10-21)22-11-15-25(30)16-12-22/h3-17,32H,18,31H2,1-2H3
InChIKeyKDZWWWKXGLVNLL-UHFFFAOYSA-N
XLogP5.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine?
The IUPAC name of 3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine (CID 132598684) is 3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine.
What is the SMILES notation for 3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine?
The canonical SMILES for 3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine is CC1(C)COC(N)(c2ccc3ccccc3c2)C(c2ccc(F)cc2)(c2ccc(F)cc2)N1.
What is the InChIKey of 3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine?
The InChIKey is KDZWWWKXGLVNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N2O/c1-26(2)18-33-28(31,23-8-7-19-5-3-4-6-20(19)17-23)27(32-26,21-9-13-24(29)14-10-21)22-11-15-25(30)16-12-22/h3-17,32H,18,31H2,1-2H3.
What are the key properties of 3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine?
3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine has a molecular weight of 444.53 g/mol, XLogP of 5.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-fluorophenyl)-5,5-dimethyl-2-naphthalen-2-ylmorpholin-2-amine is sourced from PubChem (CID 132598684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).