2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine

C14H19BrFNO2 — CID 114287335

IUPAC2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Br)C1COCCO1
InChIInChI=1S/C14H19BrFNO2/c1-2-17-12(13-9-18-6-7-19-13)8-10-4-3-5-11(16)14(10)15/h3-5,12-13,17H,2,6-9H2,1H3
InChIKeyYTIKGPQITVSADF-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.52
Rot. Bonds5

About 2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine

2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine (PubChem CID 114287335) has the molecular formula C14H19BrFNO2 and a molecular weight of 332.21 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
PubChem CID114287335
Molecular FormulaC14H19BrFNO2
Molecular Weight332.21 g/mol
Exact Mass331.06
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Br)C1COCCO1
InChIInChI=1S/C14H19BrFNO2/c1-2-17-12(13-9-18-6-7-19-13)8-10-4-3-5-11(16)14(10)15/h3-5,12-13,17H,2,6-9H2,1H3
InChIKeyYTIKGPQITVSADF-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
CID 65352587
1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65352738
[2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine
CID 105228977
2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
CID 65352785
2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65330197
N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65353005
N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 65352954
[2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
CID 102868515
N-[2-(5-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352843
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430
1-(1,4-dioxan-2-yl)-N-ethyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115824369
2-(2-bromo-3-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 115826491

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine (CID 114287335) is 2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine is CCNC(Cc1cccc(F)c1Br)C1COCCO1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine?
The InChIKey is YTIKGPQITVSADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2/c1-2-17-12(13-9-18-6-7-19-13)8-10-4-3-5-11(16)14(10)15/h3-5,12-13,17H,2,6-9H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine?
2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine has a molecular weight of 332.21 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine is sourced from PubChem (CID 114287335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).