N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline

C16H23FN2O — CID 62434907

IUPACN-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline
SMILESCN(CC1CCC(CNC2CC2)O1)c1ccccc1F
InChIInChI=1S/C16H23FN2O/c1-19(16-5-3-2-4-15(16)17)11-14-9-8-13(20-14)10-18-12-6-7-12/h2-5,12-14,18H,6-11H2,1H3
InChIKeyIEKUVBYDZXCJHJ-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.56
Rot. Bonds6

About N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline

N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline (PubChem CID 62434907) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline
PubChem CID62434907
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline
SMILESCN(CC1CCC(CNC2CC2)O1)c1ccccc1F
InChIInChI=1S/C16H23FN2O/c1-19(16-5-3-2-4-15(16)17)11-14-9-8-13(20-14)10-18-12-6-7-12/h2-5,12-14,18H,6-11H2,1H3
InChIKeyIEKUVBYDZXCJHJ-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline?
The IUPAC name of N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline (CID 62434907) is N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline?
The canonical SMILES for N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline is CN(CC1CCC(CNC2CC2)O1)c1ccccc1F.
What is the InChIKey of N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline?
The InChIKey is IEKUVBYDZXCJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-19(16-5-3-2-4-15(16)17)11-14-9-8-13(20-14)10-18-12-6-7-12/h2-5,12-14,18H,6-11H2,1H3.
What are the key properties of N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline?
N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline has a molecular weight of 278.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 62434907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).