N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine

C16H23F2NO — CID 79365209

IUPACN-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCOC1c1cccc(F)c1F
InChIInChI=1S/C16H23F2NO/c1-16(2,3)19-10-11-6-5-9-20-15(11)12-7-4-8-13(17)14(12)18/h4,7-8,11,15,19H,5-6,9-10H2,1-3H3
InChIKeyUSAOIQAYERVJRA-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.82
Rot. Bonds3

About N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79365209) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID79365209
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC NameN-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCOC1c1cccc(F)c1F
InChIInChI=1S/C16H23F2NO/c1-16(2,3)19-10-11-6-5-9-20-15(11)12-7-4-8-13(17)14(12)18/h4,7-8,11,15,19H,5-6,9-10H2,1-3H3
InChIKeyUSAOIQAYERVJRA-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine (CID 79365209) is N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCCOC1c1cccc(F)c1F.
What is the InChIKey of N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is USAOIQAYERVJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-16(2,3)19-10-11-6-5-9-20-15(11)12-7-4-8-13(17)14(12)18/h4,7-8,11,15,19H,5-6,9-10H2,1-3H3.
What are the key properties of N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 283.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79365209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).