2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine

C10H13BrFNS — CID 117445656

IUPAC2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine
SMILESCNCCc1cc(F)c(SC)c(Br)c1
InChIInChI=1S/C10H13BrFNS/c1-13-4-3-7-5-8(11)10(14-2)9(12)6-7/h5-6,13H,3-4H2,1-2H3
InChIKeyZWZHBAJXOZOSIJ-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.07
Rot. Bonds4

About 2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine

2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine (PubChem CID 117445656) has the molecular formula C10H13BrFNS and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine
PubChem CID117445656
Molecular FormulaC10H13BrFNS
Molecular Weight278.19 g/mol
Exact Mass276.99
IUPAC Name2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine
SMILESCNCCc1cc(F)c(SC)c(Br)c1
InChIInChI=1S/C10H13BrFNS/c1-13-4-3-7-5-8(11)10(14-2)9(12)6-7/h5-6,13H,3-4H2,1-2H3
InChIKeyZWZHBAJXOZOSIJ-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine
CID 83843675
N-methyl-2-(3,4,5-trifluorophenyl)ethanamine
CID 64866186
1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone
CID 117471718
2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine
CID 63818519
ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol
CID 155581862
2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 117108110
2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine
CID 83900891
(3,5-difluoro-4-methylsulfanylphenyl)methanamine
CID 63814041
3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile
CID 117297397
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711
2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline
CID 117108084
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine (CID 117445656) is 2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine is CNCCc1cc(F)c(SC)c(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine?
The InChIKey is ZWZHBAJXOZOSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNS/c1-13-4-3-7-5-8(11)10(14-2)9(12)6-7/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine?
2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine has a molecular weight of 278.19 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine is sourced from PubChem (CID 117445656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).