1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine

C12H17BrFNOS — CID 103783157

IUPAC1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine
SMILESCCS(=O)CCNC(C)c1ccc(F)cc1Br
InChIInChI=1S/C12H17BrFNOS/c1-3-17(16)7-6-15-9(2)11-5-4-10(14)8-12(11)13/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyUDPDDHRLBUBQJZ-UHFFFAOYSA-N
MW322.24 g/mol
LogP3.01
Rot. Bonds6

About 1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine

1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine (PubChem CID 103783157) has the molecular formula C12H17BrFNOS and a molecular weight of 322.24 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine
PubChem CID103783157
Molecular FormulaC12H17BrFNOS
Molecular Weight322.24 g/mol
Exact Mass321.02
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine
SMILESCCS(=O)CCNC(C)c1ccc(F)cc1Br
InChIInChI=1S/C12H17BrFNOS/c1-3-17(16)7-6-15-9(2)11-5-4-10(14)8-12(11)13/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyUDPDDHRLBUBQJZ-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115717189
3-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 114068412
ethyl 3-[1-(2-bromo-4-fluorophenyl)ethylamino]propanoate
CID 114068380
N-[(2-bromo-4-fluorophenyl)methyl]-2-ethylsulfinylethanamine
CID 115732418
N-[1-(2-bromo-4-fluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 103775462
N-[1-(2-bromo-4-fluorophenyl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 103904216
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 103775939
1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 103901299
4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol
CID 103779130
1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 106043231
N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
CID 103775782
1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284625

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine (CID 103783157) is 1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine is CCS(=O)CCNC(C)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine?
The InChIKey is UDPDDHRLBUBQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNOS/c1-3-17(16)7-6-15-9(2)11-5-4-10(14)8-12(11)13/h4-5,8-9,15H,3,6-7H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine?
1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine has a molecular weight of 322.24 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine is sourced from PubChem (CID 103783157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).