1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine

C14H15BrFNS — CID 107353847

IUPAC1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccccc1F)c1cc(Br)cs1
InChIInChI=1S/C14H15BrFNS/c1-10(14-8-12(15)9-18-14)17-7-6-11-4-2-3-5-13(11)16/h2-5,8-10,17H,6-7H2,1H3
InChIKeyCVAVGQZVASOTBS-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.54
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine

1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine (PubChem CID 107353847) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine
PubChem CID107353847
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccccc1F)c1cc(Br)cs1
InChIInChI=1S/C14H15BrFNS/c1-10(14-8-12(15)9-18-14)17-7-6-11-4-2-3-5-13(11)16/h2-5,8-10,17H,6-7H2,1H3
InChIKeyCVAVGQZVASOTBS-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-[2-(2-fluorophenyl)ethyl]ethanamine
CID 43193148
1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 107167096
1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107167364
N-[2-(2-fluorophenyl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 43097346
N-[2-(2-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43095856
[1-(4-bromothiophen-2-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105222468
N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline
CID 107354041
N-[1-(4-bromothiophen-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107167150
N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline
CID 107167652
1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 107167355
N-[2-(2-fluorophenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 43760653
N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline
CID 107354158

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine (CID 107353847) is 1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine is CC(NCCc1ccccc1F)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine?
The InChIKey is CVAVGQZVASOTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-10(14-8-12(15)9-18-14)17-7-6-11-4-2-3-5-13(11)16/h2-5,8-10,17H,6-7H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine has a molecular weight of 328.25 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 107353847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).