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

C16H23BrFNO — CID 80684942

IUPAC2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)C1(C)CCCCO1
InChIInChI=1S/C16H23BrFNO/c1-3-19-15(16(2)8-4-5-9-20-16)11-12-10-13(17)6-7-14(12)18/h6-7,10,15,19H,3-5,8-9,11H2,1-2H3
InChIKeyRFTRLFBRBQSXCH-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.07
Rot. Bonds5

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

2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine (PubChem CID 80684942) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
PubChem CID80684942
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)C1(C)CCCCO1
InChIInChI=1S/C16H23BrFNO/c1-3-19-15(16(2)8-4-5-9-20-16)11-12-10-13(17)6-7-14(12)18/h6-7,10,15,19H,3-5,8-9,11H2,1-2H3
InChIKeyRFTRLFBRBQSXCH-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
CID 116762133
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 103040345
N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80683647
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 102857846
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 112653884
2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391044
[2-(5-bromo-2-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253385
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
CID 80685504
[2-(4-bromo-2-chlorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine
CID 105256180
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80684873
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 103049169

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine (CID 80684942) is 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine is CCNC(Cc1cc(Br)ccc1F)C1(C)CCCCO1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine?
The InChIKey is RFTRLFBRBQSXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-3-19-15(16(2)8-4-5-9-20-16)11-12-10-13(17)6-7-14(12)18/h6-7,10,15,19H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine?
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine has a molecular weight of 344.27 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine is sourced from PubChem (CID 80684942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).