2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine

C15H21BrFNO — CID 79709136

IUPAC2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)C1CCCOC1
InChIInChI=1S/C15H21BrFNO/c1-2-18-15(12-4-3-5-19-10-12)8-11-6-13(16)9-14(17)7-11/h6-7,9,12,15,18H,2-5,8,10H2,1H3
InChIKeyIKSPJXFGBFVHMW-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.54
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine

2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine (PubChem CID 79709136) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
PubChem CID79709136
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)C1CCCOC1
InChIInChI=1S/C15H21BrFNO/c1-2-18-15(12-4-3-5-19-10-12)8-11-6-13(16)9-14(17)7-11/h6-7,9,12,15,18H,2-5,8,10H2,1H3
InChIKeyIKSPJXFGBFVHMW-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105015814
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 105015601
2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 63015076
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 79708965
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65329971
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962540
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol
CID 107136132
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79700039
2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 63045973
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 65330085
N-[2-(3-bromo-5-fluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105015553

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine (CID 79709136) is 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine is CCNC(Cc1cc(F)cc(Br)c1)C1CCCOC1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine?
The InChIKey is IKSPJXFGBFVHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-2-18-15(12-4-3-5-19-10-12)8-11-6-13(16)9-14(17)7-11/h6-7,9,12,15,18H,2-5,8,10H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine?
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine has a molecular weight of 330.24 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 79709136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).