5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine

C21H28FN3O — CID 119047916

IUPAC5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ccc(CNCC2(c3ccc(F)cc3)CCC2)cn1
InChIInChI=1S/C21H28FN3O/c1-25(12-13-26-2)20-9-4-17(15-24-20)14-23-16-21(10-3-11-21)18-5-7-19(22)8-6-18/h4-9,15,23H,3,10-14,16H2,1-2H3
InChIKeyCBGYJJZOQGYBAW-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.51
Rot. Bonds9

About 5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine

5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine (PubChem CID 119047916) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is 5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
PubChem CID119047916
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC Name5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ccc(CNCC2(c3ccc(F)cc3)CCC2)cn1
InChIInChI=1S/C21H28FN3O/c1-25(12-13-26-2)20-9-4-17(15-24-20)14-23-16-21(10-3-11-21)18-5-7-19(22)8-6-18/h4-9,15,23H,3,10-14,16H2,1-2H3
InChIKeyCBGYJJZOQGYBAW-UHFFFAOYSA-N
XLogP3.51
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine (CID 119047916) is 5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine is COCCN(C)c1ccc(CNCC2(c3ccc(F)cc3)CCC2)cn1.
What is the InChIKey of 5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The InChIKey is CBGYJJZOQGYBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O/c1-25(12-13-26-2)20-9-4-17(15-24-20)14-23-16-21(10-3-11-21)18-5-7-19(22)8-6-18/h4-9,15,23H,3,10-14,16H2,1-2H3.
What are the key properties of 5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine has a molecular weight of 357.47 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 119047916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).