(3,5-difluoro-4-morpholin-4-ylphenyl)methanamine

C11H14F2N2O — CID 22337573

IUPAC(3,5-difluoro-4-morpholin-4-ylphenyl)methanamine
SMILESNCc1cc(F)c(N2CCOCC2)c(F)c1
InChIInChI=1S/C11H14F2N2O/c12-9-5-8(7-14)6-10(13)11(9)15-1-3-16-4-2-15/h5-6H,1-4,7,14H2
InChIKeyXZVHIFLULLZICN-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.26
Rot. Bonds2

About (3,5-difluoro-4-morpholin-4-ylphenyl)methanamine

(3,5-difluoro-4-morpholin-4-ylphenyl)methanamine (PubChem CID 22337573) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is (3,5-difluoro-4-morpholin-4-ylphenyl)methanamine.

Molecular Properties

Compound Name(3,5-difluoro-4-morpholin-4-ylphenyl)methanamine
PubChem CID22337573
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name(3,5-difluoro-4-morpholin-4-ylphenyl)methanamine
SMILESNCc1cc(F)c(N2CCOCC2)c(F)c1
InChIInChI=1S/C11H14F2N2O/c12-9-5-8(7-14)6-10(13)11(9)15-1-3-16-4-2-15/h5-6H,1-4,7,14H2
InChIKeyXZVHIFLULLZICN-UHFFFAOYSA-N
XLogP1.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-morpholin-4-ylphenyl)methanamine?
The IUPAC name of (3,5-difluoro-4-morpholin-4-ylphenyl)methanamine (CID 22337573) is (3,5-difluoro-4-morpholin-4-ylphenyl)methanamine.
What is the SMILES notation for (3,5-difluoro-4-morpholin-4-ylphenyl)methanamine?
The canonical SMILES for (3,5-difluoro-4-morpholin-4-ylphenyl)methanamine is NCc1cc(F)c(N2CCOCC2)c(F)c1.
What is the InChIKey of (3,5-difluoro-4-morpholin-4-ylphenyl)methanamine?
The InChIKey is XZVHIFLULLZICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-9-5-8(7-14)6-10(13)11(9)15-1-3-16-4-2-15/h5-6H,1-4,7,14H2.
What are the key properties of (3,5-difluoro-4-morpholin-4-ylphenyl)methanamine?
(3,5-difluoro-4-morpholin-4-ylphenyl)methanamine has a molecular weight of 228.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-morpholin-4-ylphenyl)methanamine is sourced from PubChem (CID 22337573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).