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

C14H19BrFNO — CID 65329971

IUPAC2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Br)C1CCOC1
InChIInChI=1S/C14H19BrFNO/c1-2-17-14(11-5-6-18-9-11)7-10-3-4-12(16)8-13(10)15/h3-4,8,11,14,17H,2,5-7,9H2,1H3
InChIKeyQIWDIYYZCUHOFM-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.15
Rot. Bonds5

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

2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine (PubChem CID 65329971) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
PubChem CID65329971
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Br)C1CCOC1
InChIInChI=1S/C14H19BrFNO/c1-2-17-14(11-5-6-18-9-11)7-10-3-4-12(16)8-13(10)15/h3-4,8,11,14,17H,2,5-7,9H2,1H3
InChIKeyQIWDIYYZCUHOFM-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
CID 64986283
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 63936685
2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65330197
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66070583
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 79709136
2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 63045973
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 65330085
N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
CID 65478793
[2-(2-bromo-5-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine
CID 105230037
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-bromo-4-fluorophenyl)-N-ethylethanamine
CID 64984556
2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine
CID 65330516

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine (CID 65329971) is 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine is CCNC(Cc1ccc(F)cc1Br)C1CCOC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is QIWDIYYZCUHOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-2-17-14(11-5-6-18-9-11)7-10-3-4-12(16)8-13(10)15/h3-4,8,11,14,17H,2,5-7,9H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 316.21 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 65329971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).