N-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine

C13H17F2NO — CID 82818303

IUPACN-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine
SMILESCc1ccc(F)c(NC2CCOC(C)C2)c1F
InChIInChI=1S/C13H17F2NO/c1-8-3-4-11(14)13(12(8)15)16-10-5-6-17-9(2)7-10/h3-4,9-10,16H,5-7H2,1-2H3
InChIKeyJISBYVGQHXEOCZ-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.25
Rot. Bonds2

About N-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine

N-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine (PubChem CID 82818303) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine
PubChem CID82818303
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine
SMILESCc1ccc(F)c(NC2CCOC(C)C2)c1F
InChIInChI=1S/C13H17F2NO/c1-8-3-4-11(14)13(12(8)15)16-10-5-6-17-9(2)7-10/h3-4,9-10,16H,5-7H2,1-2H3
InChIKeyJISBYVGQHXEOCZ-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine (CID 82818303) is N-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine is Cc1ccc(F)c(NC2CCOC(C)C2)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine?
The InChIKey is JISBYVGQHXEOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-8-3-4-11(14)13(12(8)15)16-10-5-6-17-9(2)7-10/h3-4,9-10,16H,5-7H2,1-2H3.
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine?
N-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine has a molecular weight of 241.28 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)-2-methyloxan-4-amine is sourced from PubChem (CID 82818303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).