1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine

C15H16BrF2NOS — CID 43225293

IUPAC1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine
SMILESCC(NCc1ccc(CSC(F)F)o1)c1ccccc1Br
InChIInChI=1S/C15H16BrF2NOS/c1-10(13-4-2-3-5-14(13)16)19-8-11-6-7-12(20-11)9-21-15(17)18/h2-7,10,15,19H,8-9H2,1H3
InChIKeyKRQDHQAGCUJMOA-UHFFFAOYSA-N
MW376.27 g/mol
LogP5.35
Rot. Bonds7

About 1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine

1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine (PubChem CID 43225293) has the molecular formula C15H16BrF2NOS and a molecular weight of 376.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine
PubChem CID43225293
Molecular FormulaC15H16BrF2NOS
Molecular Weight376.27 g/mol
Exact Mass375.01
IUPAC Name1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine
SMILESCC(NCc1ccc(CSC(F)F)o1)c1ccccc1Br
InChIInChI=1S/C15H16BrF2NOS/c1-10(13-4-2-3-5-14(13)16)19-8-11-6-7-12(20-11)9-21-15(17)18/h2-7,10,15,19H,8-9H2,1H3
InChIKeyKRQDHQAGCUJMOA-UHFFFAOYSA-N
XLogP5.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.27
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81375041
[5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol
CID 64579765
1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 43223395
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 81383105
(1R)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-fluorophenyl)ethanamine
CID 81350621
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
CID 43776345
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-methoxybutan-2-amine
CID 62734092
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 43783043
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2,3-dimethylbutan-1-amine
CID 64569884
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide
CID 43225480
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103257756
1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine
CID 82706312

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine (CID 43225293) is 1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine is CC(NCc1ccc(CSC(F)F)o1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is KRQDHQAGCUJMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2NOS/c1-10(13-4-2-3-5-14(13)16)19-8-11-6-7-12(20-11)9-21-15(17)18/h2-7,10,15,19H,8-9H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine?
1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 376.27 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 43225293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).