1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine

C10H13ClFNS — CID 116830356

IUPAC1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine
SMILESCSCC(N)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C10H13ClFNS/c1-6-3-8(11)7(4-9(6)12)10(13)5-14-2/h3-4,10H,5,13H2,1-2H3
InChIKeyFCOKIXNDLNTUFN-UHFFFAOYSA-N
MW233.74 g/mol
LogP3.15
Rot. Bonds3

About 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine

1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine (PubChem CID 116830356) has the molecular formula C10H13ClFNS and a molecular weight of 233.74 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine
PubChem CID116830356
Molecular FormulaC10H13ClFNS
Molecular Weight233.74 g/mol
Exact Mass233.04
IUPAC Name1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine
SMILESCSCC(N)c1cc(F)c(C)cc1Cl
InChIInChI=1S/C10H13ClFNS/c1-6-3-8(11)7(4-9(6)12)10(13)5-14-2/h3-4,10H,5,13H2,1-2H3
InChIKeyFCOKIXNDLNTUFN-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 116830259
3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide
CID 116850996
1-(5-chloro-2-fluorophenyl)-2-methylsulfanylethanamine
CID 116830315
1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol
CID 116831182
1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934564
5-amino-5-(2-chloro-5-fluoro-4-methylphenyl)pentanoic acid
CID 116937894
1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol
CID 116859639
1-(2-chloro-4,5-difluorophenyl)propan-1-amine
CID 103693409
1-(2-chloro-4,5-difluorophenyl)-3,3-dimethylbutan-1-amine
CID 103852510
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990414
3,4-diamino-4-(2-chloro-5-fluoro-4-methylphenyl)butanoic acid
CID 116942886

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine?
The IUPAC name of 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine (CID 116830356) is 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine?
The canonical SMILES for 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine is CSCC(N)c1cc(F)c(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine?
The InChIKey is FCOKIXNDLNTUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNS/c1-6-3-8(11)7(4-9(6)12)10(13)5-14-2/h3-4,10H,5,13H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine?
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine has a molecular weight of 233.74 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine is sourced from PubChem (CID 116830356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).