1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine

C13H13BrFNS — CID 102827158

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine
SMILESCc1sc(C(N)Cc2ccccc2F)cc1Br
InChIInChI=1S/C13H13BrFNS/c1-8-10(14)7-13(17-8)12(16)6-9-4-2-3-5-11(9)15/h2-5,7,12H,6,16H2,1H3
InChIKeyPCNMJTCYXHYJCA-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.20
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine

1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine (PubChem CID 102827158) has the molecular formula C13H13BrFNS and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine
PubChem CID102827158
Molecular FormulaC13H13BrFNS
Molecular Weight314.22 g/mol
Exact Mass312.99
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine
SMILESCc1sc(C(N)Cc2ccccc2F)cc1Br
InChIInChI=1S/C13H13BrFNS/c1-8-10(14)7-13(17-8)12(16)6-9-4-2-3-5-11(9)15/h2-5,7,12H,6,16H2,1H3
InChIKeyPCNMJTCYXHYJCA-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine
CID 102827153
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 102827194
2-(2,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115810291
2-(4-bromo-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 115844464
3-bromo-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-methylthiophene
CID 102835341
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine
CID 65440683
2-(2-fluorophenyl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832102
2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 65239408
2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene
CID 81158746
2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122039
[1-(4,5-dimethylthiophen-2-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105284674
1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine
CID 102827056

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine (CID 102827158) is 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine is Cc1sc(C(N)Cc2ccccc2F)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine?
The InChIKey is PCNMJTCYXHYJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNS/c1-8-10(14)7-13(17-8)12(16)6-9-4-2-3-5-11(9)15/h2-5,7,12H,6,16H2,1H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine?
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine has a molecular weight of 314.22 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 102827158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).