1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine

C14H15BrFNS — CID 54952781

IUPAC1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
SMILESCC(NCCc1ccsc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFNS/c1-10(12-2-3-14(16)13(15)8-12)17-6-4-11-5-7-18-9-11/h2-3,5,7-10,17H,4,6H2,1H3
InChIKeyPIVVSSDFMRFLOM-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.54
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine

1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine (PubChem CID 54952781) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
PubChem CID54952781
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
SMILESCC(NCCc1ccsc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFNS/c1-10(12-2-3-14(16)13(15)8-12)17-6-4-11-5-7-18-9-11/h2-3,5,7-10,17H,4,6H2,1H3
InChIKeyPIVVSSDFMRFLOM-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

4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
CID 54953254
1-(3-bromo-4-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 82808675
N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline
CID 61474895
1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474936
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 43754836
3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene
CID 107958002
1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 65148445
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 115721432
1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 82773429
1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 82889413
1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine
CID 43178590
1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 62604981

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine (CID 54952781) is 1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine is CC(NCCc1ccsc1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine?
The InChIKey is PIVVSSDFMRFLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-10(12-2-3-14(16)13(15)8-12)17-6-4-11-5-7-18-9-11/h2-3,5,7-10,17H,4,6H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine?
1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)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-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine is sourced from PubChem (CID 54952781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).