N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine

C15H21F2NO — CID 114933904

IUPACN-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2c(F)cccc2F)CCOC1C
InChIInChI=1S/C15H21F2NO/c1-3-18-10-15(7-8-19-11(15)2)9-12-13(16)5-4-6-14(12)17/h4-6,11,18H,3,7-10H2,1-2H3
InChIKeyOZAZPLITYUGYFS-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.91
Rot. Bonds5

About N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine

N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine (PubChem CID 114933904) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
PubChem CID114933904
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2c(F)cccc2F)CCOC1C
InChIInChI=1S/C15H21F2NO/c1-3-18-10-15(7-8-19-11(15)2)9-12-13(16)5-4-6-14(12)17/h4-6,11,18H,3,7-10H2,1-2H3
InChIKeyOZAZPLITYUGYFS-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine (CID 114933904) is N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine is CCNCC1(Cc2c(F)cccc2F)CCOC1C.
What is the InChIKey of N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine?
The InChIKey is OZAZPLITYUGYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-3-18-10-15(7-8-19-11(15)2)9-12-13(16)5-4-6-14(12)17/h4-6,11,18H,3,7-10H2,1-2H3.
What are the key properties of N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine?
N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine has a molecular weight of 269.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 114933904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).