2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine

C15H15BrFNO — CID 68827135

IUPAC2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(CNCCOc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrFNO/c16-14-3-1-2-4-15(14)19-10-9-18-11-12-5-7-13(17)8-6-12/h1-8,18H,9-11H2
InChIKeyWOVGAGKHRYFYDR-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.76
Rot. Bonds6

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

2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine (PubChem CID 68827135) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
PubChem CID68827135
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESFc1ccc(CNCCOc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrFNO/c16-14-3-1-2-4-15(14)19-10-9-18-11-12-5-7-13(17)8-6-12/h1-8,18H,9-11H2
InChIKeyWOVGAGKHRYFYDR-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39362846
2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39392014
N-benzyl-2-(2,5-difluorophenoxy)ethanamine
CID 63273196
N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride
CID 69275255
N-[(3-bromo-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 29222747
N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine
CID 83140186
N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 62571624
3-(2-bromophenoxy)propylhydrazine
CID 94688539
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine
CID 39425420
N-[[4-(chloromethyl)phenyl]methyl]-2-(2-methoxyphenoxy)ethanamine
CID 107232956
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-[(4-fluorophenyl)methyl]ethanamine
CID 164623148

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine (CID 68827135) is 2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine is Fc1ccc(CNCCOc2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
The InChIKey is WOVGAGKHRYFYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c16-14-3-1-2-4-15(14)19-10-9-18-11-12-5-7-13(17)8-6-12/h1-8,18H,9-11H2.
What are the key properties of 2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine?
2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine has a molecular weight of 324.19 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 68827135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).