1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine

C14H15BrFNS — CID 114886671

IUPAC1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(CC(N)c2c(F)cccc2Br)s1
InChIInChI=1S/C14H15BrFNS/c1-2-9-6-7-10(18-9)8-13(17)14-11(15)4-3-5-12(14)16/h3-7,13H,2,8,17H2,1H3
InChIKeyUJRFKSLCKFAQBP-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.45
Rot. Bonds4

About 1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine

1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine (PubChem CID 114886671) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
PubChem CID114886671
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(CC(N)c2c(F)cccc2Br)s1
InChIInChI=1S/C14H15BrFNS/c1-2-9-6-7-10(18-9)8-13(17)14-11(15)4-3-5-12(14)16/h3-7,13H,2,8,17H2,1H3
InChIKeyUJRFKSLCKFAQBP-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 114886786
1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842355
1-(2-bromo-6-fluorophenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 114886689
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114886632
1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 114559956
1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114887025
1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine
CID 114559896
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
[1-(3-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 114020220
1-(5-bromofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842605
(1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine
CID 131145671
1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842771

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine (CID 114886671) is 1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine is CCc1ccc(CC(N)c2c(F)cccc2Br)s1.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine?
The InChIKey is UJRFKSLCKFAQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-2-9-6-7-10(18-9)8-13(17)14-11(15)4-3-5-12(14)16/h3-7,13H,2,8,17H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine?
1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine has a molecular weight of 328.25 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 114886671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).