N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine

C15H22FNO — CID 166879859

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCN(CCC1CCOCC1)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-17(9-6-13-7-10-18-11-8-13)12-14-2-4-15(16)5-3-14/h2-5,13H,6-12H2,1H3
InChIKeyAITPHEYOWCDQLG-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.07
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine

N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine (PubChem CID 166879859) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine
PubChem CID166879859
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCN(CCC1CCOCC1)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-17(9-6-13-7-10-18-11-8-13)12-14-2-4-15(16)5-3-14/h2-5,13H,6-12H2,1H3
InChIKeyAITPHEYOWCDQLG-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine (CID 166879859) is N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine is CN(CCC1CCOCC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine?
The InChIKey is AITPHEYOWCDQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-17(9-6-13-7-10-18-11-8-13)12-14-2-4-15(16)5-3-14/h2-5,13H,6-12H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine?
N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 166879859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).