1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine

C14H15BrFNS — CID 61063795

IUPAC1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)c1ccc(Br)s1
InChIInChI=1S/C14H15BrFNS/c1-2-17-12(13-7-8-14(15)18-13)9-10-3-5-11(16)6-4-10/h3-8,12,17H,2,9H2,1H3
InChIKeyQRURFPUGWNSLDU-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.54
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine

1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine (PubChem CID 61063795) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
PubChem CID61063795
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1)c1ccc(Br)s1
InChIInChI=1S/C14H15BrFNS/c1-2-17-12(13-7-8-14(15)18-13)9-10-3-5-11(16)6-4-10/h3-8,12,17H,2,9H2,1H3
InChIKeyQRURFPUGWNSLDU-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-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43492060
[1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105222035
1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 61080789
1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
CID 61101878
1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065076
1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43489690
2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 115841174
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 63527393
N-[(5-bromothiophen-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 61103404
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115843203
1-(5-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114474799
2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 62516078

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine (CID 61063795) is 1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine is CCNC(Cc1ccc(F)cc1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
The InChIKey is QRURFPUGWNSLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-2-17-12(13-7-8-14(15)18-13)9-10-3-5-11(16)6-4-10/h3-8,12,17H,2,9H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)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-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 61063795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).