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

C21H27FN2O — CID 156846606

IUPAC2-[(2-fluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCc1ccc(N(C)CCN2CCOCC2)c(Cc2ccccc2F)c1
InChIInChI=1S/C21H27FN2O/c1-17-7-8-21(23(2)9-10-24-11-13-25-14-12-24)19(15-17)16-18-5-3-4-6-20(18)22/h3-8,15H,9-14,16H2,1-2H3
InChIKeyIDULFVBHLTYZOH-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.49
Rot. Bonds6

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

2-[(2-fluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 156846606) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline
PubChem CID156846606
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name2-[(2-fluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCc1ccc(N(C)CCN2CCOCC2)c(Cc2ccccc2F)c1
InChIInChI=1S/C21H27FN2O/c1-17-7-8-21(23(2)9-10-24-11-13-25-14-12-24)19(15-17)16-18-5-3-4-6-20(18)22/h3-8,15H,9-14,16H2,1-2H3
InChIKeyIDULFVBHLTYZOH-UHFFFAOYSA-N
XLogP3.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline (CID 156846606) is 2-[(2-fluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline is Cc1ccc(N(C)CCN2CCOCC2)c(Cc2ccccc2F)c1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is IDULFVBHLTYZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-17-7-8-21(23(2)9-10-24-11-13-25-14-12-24)19(15-17)16-18-5-3-4-6-20(18)22/h3-8,15H,9-14,16H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline?
2-[(2-fluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 342.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N,4-dimethyl-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 156846606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).