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

C15H17BrFNS — CID 115844450

IUPAC2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1F)c1sccc1C
InChIInChI=1S/C15H17BrFNS/c1-3-18-14(15-10(2)6-7-19-15)8-11-4-5-12(16)9-13(11)17/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeyOIWIZRKHQXBOKO-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.85
Rot. Bonds5

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

2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 115844450) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID115844450
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC Name2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1F)c1sccc1C
InChIInChI=1S/C15H17BrFNS/c1-3-18-14(15-10(2)6-7-19-15)8-11-4-5-12(16)9-13(11)17/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeyOIWIZRKHQXBOKO-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

2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 55095736
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051140
2-(4-bromo-2-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115844705
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-2-fluorophenyl)-N-ethylethanamine
CID 115844408
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414422
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine
CID 63412537
2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988271
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115843279
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105131942
2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115817250
2-(1-benzothiophen-3-yl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115823579
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050998

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine (CID 115844450) is 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine is CCNC(Cc1ccc(Br)cc1F)c1sccc1C.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is OIWIZRKHQXBOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-3-18-14(15-10(2)6-7-19-15)8-11-4-5-12(16)9-13(11)17/h4-7,9,14,18H,3,8H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)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 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115844450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).