3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline

C16H18FNO — CID 79055605

IUPAC3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline
SMILESCOCc1ccc(CNc2cc(C)cc(F)c2)cc1
InChIInChI=1S/C16H18FNO/c1-12-7-15(17)9-16(8-12)18-10-13-3-5-14(6-4-13)11-19-2/h3-9,18H,10-11H2,1-2H3
InChIKeyADYOZWSEZYPUEK-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.89
Rot. Bonds5

About 3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline

3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline (PubChem CID 79055605) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline.

Molecular Properties

Compound Name3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline
PubChem CID79055605
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline
SMILESCOCc1ccc(CNc2cc(C)cc(F)c2)cc1
InChIInChI=1S/C16H18FNO/c1-12-7-15(17)9-16(8-12)18-10-13-3-5-14(6-4-13)11-19-2/h3-9,18H,10-11H2,1-2H3
InChIKeyADYOZWSEZYPUEK-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline?
The IUPAC name of 3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline (CID 79055605) is 3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline.
What is the SMILES notation for 3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline?
The canonical SMILES for 3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline is COCc1ccc(CNc2cc(C)cc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline?
The InChIKey is ADYOZWSEZYPUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-7-15(17)9-16(8-12)18-10-13-3-5-14(6-4-13)11-19-2/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline?
3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline has a molecular weight of 259.32 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline is sourced from PubChem (CID 79055605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).