N-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine

C16H23F2NO — CID 50950347

IUPACN-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine
SMILESCCN(Cc1c(F)ccc(C)c1F)CC1CCOCC1
InChIInChI=1S/C16H23F2NO/c1-3-19(10-13-6-8-20-9-7-13)11-14-15(17)5-4-12(2)16(14)18/h4-5,13H,3,6-11H2,1-2H3
InChIKeyVNGVXJYZWGORAI-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.52
Rot. Bonds5

About N-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine

N-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 50950347) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine
PubChem CID50950347
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine
SMILESCCN(Cc1c(F)ccc(C)c1F)CC1CCOCC1
InChIInChI=1S/C16H23F2NO/c1-3-19(10-13-6-8-20-9-7-13)11-14-15(17)5-4-12(2)16(14)18/h4-5,13H,3,6-11H2,1-2H3
InChIKeyVNGVXJYZWGORAI-UHFFFAOYSA-N
XLogP3.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine (CID 50950347) is N-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine is CCN(Cc1c(F)ccc(C)c1F)CC1CCOCC1.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is VNGVXJYZWGORAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-3-19(10-13-6-8-20-9-7-13)11-14-15(17)5-4-12(2)16(14)18/h4-5,13H,3,6-11H2,1-2H3.
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine?
N-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 283.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methylphenyl)methyl]-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 50950347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).