N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine

C21H21FN2O — CID 19079462

IUPACN-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine
SMILESCN(CCOc1ccccc1)Cc1cncc(-c2ccc(F)cc2)c1
InChIInChI=1S/C21H21FN2O/c1-24(11-12-25-21-5-3-2-4-6-21)16-17-13-19(15-23-14-17)18-7-9-20(22)10-8-18/h2-10,13-15H,11-12,16H2,1H3
InChIKeyWQGXXRODJLLJGY-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.40
Rot. Bonds7

About N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine

N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine (PubChem CID 19079462) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine
PubChem CID19079462
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC NameN-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine
SMILESCN(CCOc1ccccc1)Cc1cncc(-c2ccc(F)cc2)c1
InChIInChI=1S/C21H21FN2O/c1-24(11-12-25-21-5-3-2-4-6-21)16-17-13-19(15-23-14-17)18-7-9-20(22)10-8-18/h2-10,13-15H,11-12,16H2,1H3
InChIKeyWQGXXRODJLLJGY-UHFFFAOYSA-N
XLogP4.40
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine (CID 19079462) is N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine is CN(CCOc1ccccc1)Cc1cncc(-c2ccc(F)cc2)c1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine?
The InChIKey is WQGXXRODJLLJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c1-24(11-12-25-21-5-3-2-4-6-21)16-17-13-19(15-23-14-17)18-7-9-20(22)10-8-18/h2-10,13-15H,11-12,16H2,1H3.
What are the key properties of N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine?
N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine has a molecular weight of 336.41 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-N-methyl-2-phenoxyethanamine is sourced from PubChem (CID 19079462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).