1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine

C14H15BrFNOS — CID 66072502

IUPAC1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine
SMILESCCNC(CSc1cccc(F)c1)c1occc1Br
InChIInChI=1S/C14H15BrFNOS/c1-2-17-13(14-12(15)6-7-18-14)9-19-11-5-3-4-10(16)8-11/h3-8,13,17H,2,9H2,1H3
InChIKeyZZJQPRCLLIONRZ-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.62
Rot. Bonds6

About 1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine

1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine (PubChem CID 66072502) has the molecular formula C14H15BrFNOS and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine
PubChem CID66072502
Molecular FormulaC14H15BrFNOS
Molecular Weight344.25 g/mol
Exact Mass343.00
IUPAC Name1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine
SMILESCCNC(CSc1cccc(F)c1)c1occc1Br
InChIInChI=1S/C14H15BrFNOS/c1-2-17-13(14-12(15)6-7-18-14)9-19-11-5-3-4-10(16)8-11/h3-8,13,17H,2,9H2,1H3
InChIKeyZZJQPRCLLIONRZ-UHFFFAOYSA-N
XLogP4.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine
CID 66073333
1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 65131664
1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072018
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine
CID 66158848
N-[1-(3-bromofuran-2-yl)-2-(4-bromophenyl)sulfanylethyl]propan-1-amine
CID 66054930
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374715
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
CID 83175253
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine
CID 79445793
N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)sulfanylethyl]propan-1-amine
CID 66145552
1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine
CID 66071258
1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63942062

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine (CID 66072502) is 1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine is CCNC(CSc1cccc(F)c1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine?
The InChIKey is ZZJQPRCLLIONRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNOS/c1-2-17-13(14-12(15)6-7-18-14)9-19-11-5-3-4-10(16)8-11/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine?
1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine has a molecular weight of 344.25 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 66072502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).