1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine

C15H21BrFNO — CID 115847063

IUPAC1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H21BrFNO/c1-2-18-15(9-11-5-7-19-8-6-11)12-3-4-13(16)14(17)10-12/h3-4,10-11,15,18H,2,5-9H2,1H3
InChIKeyCCUZFFHEYODCGT-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.06
Rot. Bonds5

About 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine

1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine (PubChem CID 115847063) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
PubChem CID115847063
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H21BrFNO/c1-2-18-15(9-11-5-7-19-8-6-11)12-3-4-13(16)14(17)10-12/h3-4,10-11,15,18H,2,5-9H2,1H3
InChIKeyCCUZFFHEYODCGT-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 66424651
1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846745
1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 114330620
2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64906377
N-[1-(4-bromo-3-chlorophenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 115847097
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115847099
[1-(4-bromo-3-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310116
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138597
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846607
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846782
1-(4-chloro-3-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 107992592
1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987271

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine (CID 115847063) is 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine is CCNC(CC1CCOCC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The InChIKey is CCUZFFHEYODCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-2-18-15(9-11-5-7-19-8-6-11)12-3-4-13(16)14(17)10-12/h3-4,10-11,15,18H,2,5-9H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine has a molecular weight of 330.24 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115847063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).