2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine

C11H15ClFNS — CID 116853588

IUPAC2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine
SMILESCc1cc(Cl)c(SC(C)(C)CN)cc1F
InChIInChI=1S/C11H15ClFNS/c1-7-4-8(12)10(5-9(7)13)15-11(2,3)6-14/h4-5H,6,14H2,1-3H3
InChIKeyOIHSTPGHRPJCHO-UHFFFAOYSA-N
MW247.77 g/mol
LogP3.62
Rot. Bonds3

About 2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine

2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine (PubChem CID 116853588) has the molecular formula C11H15ClFNS and a molecular weight of 247.77 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine
PubChem CID116853588
Molecular FormulaC11H15ClFNS
Molecular Weight247.77 g/mol
Exact Mass247.06
IUPAC Name2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine
SMILESCc1cc(Cl)c(SC(C)(C)CN)cc1F
InChIInChI=1S/C11H15ClFNS/c1-7-4-8(12)10(5-9(7)13)15-11(2,3)6-14/h4-5H,6,14H2,1-3H3
InChIKeyOIHSTPGHRPJCHO-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine
CID 116838633
2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
CID 115131719
N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine
CID 115225495
1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934564
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine
CID 116830356
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
N'-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 117045150
1-chloro-2-(1,1-difluoroethyl)-4-fluoro-5-methylbenzene
CID 116841620
2-(2-chloro-5-fluoro-4-methylphenyl)sulfanylpropanoic acid
CID 116852479
4-amino-1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylbutan-1-one
CID 116916425
2-(4-methoxy-2-methylphenyl)sulfanyl-2-methylpropan-1-amine
CID 117032593
1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839484

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine?
The IUPAC name of 2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine (CID 116853588) is 2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine?
The canonical SMILES for 2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine is Cc1cc(Cl)c(SC(C)(C)CN)cc1F.
What is the InChIKey of 2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine?
The InChIKey is OIHSTPGHRPJCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNS/c1-7-4-8(12)10(5-9(7)13)15-11(2,3)6-14/h4-5H,6,14H2,1-3H3.
What are the key properties of 2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine?
2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine has a molecular weight of 247.77 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine is sourced from PubChem (CID 116853588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).