1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine

C15H17BrFNS — CID 105051140

IUPAC1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1sccc1Br
InChIInChI=1S/C15H17BrFNS/c1-3-18-14(15-13(16)6-7-19-15)9-11-4-5-12(17)8-10(11)2/h4-8,14,18H,3,9H2,1-2H3
InChIKeyQPAGEYFKTQYMHC-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.85
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine

1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 105051140) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID105051140
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC Name1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1sccc1Br
InChIInChI=1S/C15H17BrFNS/c1-3-18-14(15-13(16)6-7-19-15)9-11-4-5-12(17)8-10(11)2/h4-8,14,18H,3,9H2,1-2H3
InChIKeyQPAGEYFKTQYMHC-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
1-(3-bromothiophen-2-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828971
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 115843885
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115844450
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050998
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115843279
2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 63797423
2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115817250
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051012
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051314
1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829741
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348314

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine (CID 105051140) is 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1ccc(F)cc1C)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is QPAGEYFKTQYMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-3-18-14(15-13(16)6-7-19-15)9-11-4-5-12(17)8-10(11)2/h4-8,14,18H,3,9H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 342.28 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105051140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).