2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline

C21H26F2N2O — CID 156846647

IUPAC2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCc1ccc(N(C)CCN2CCOCC2)c(Cc2c(F)cccc2F)c1
InChIInChI=1S/C21H26F2N2O/c1-16-6-7-21(24(2)8-9-25-10-12-26-13-11-25)17(14-16)15-18-19(22)4-3-5-20(18)23/h3-7,14H,8-13,15H2,1-2H3
InChIKeyYTHAKNVZORVJPL-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.63
Rot. Bonds6

About 2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline

2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 156846647) has the molecular formula C21H26F2N2O and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline
PubChem CID156846647
Molecular FormulaC21H26F2N2O
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCc1ccc(N(C)CCN2CCOCC2)c(Cc2c(F)cccc2F)c1
InChIInChI=1S/C21H26F2N2O/c1-16-6-7-21(24(2)8-9-25-10-12-26-13-11-25)17(14-16)15-18-19(22)4-3-5-20(18)23/h3-7,14H,8-13,15H2,1-2H3
InChIKeyYTHAKNVZORVJPL-UHFFFAOYSA-N
XLogP3.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline (CID 156846647) is 2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline is Cc1ccc(N(C)CCN2CCOCC2)c(Cc2c(F)cccc2F)c1.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is YTHAKNVZORVJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O/c1-16-6-7-21(24(2)8-9-25-10-12-26-13-11-25)17(14-16)15-18-19(22)4-3-5-20(18)23/h3-7,14H,8-13,15H2,1-2H3.
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline?
2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 360.45 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 156846647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).