N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

C10H11ClF3NS — CID 75529958

IUPACN-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
SMILESFC(F)(F)SCCNCc1cccc(Cl)c1
InChIInChI=1S/C10H11ClF3NS/c11-9-3-1-2-8(6-9)7-15-4-5-16-10(12,13)14/h1-3,6,15H,4-5,7H2
InChIKeyCNSBDLPXSNHRSX-UHFFFAOYSA-N
MW269.72 g/mol
LogP3.68
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 75529958) has the molecular formula C10H11ClF3NS and a molecular weight of 269.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID75529958
Molecular FormulaC10H11ClF3NS
Molecular Weight269.72 g/mol
Exact Mass269.03
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
SMILESFC(F)(F)SCCNCc1cccc(Cl)c1
InChIInChI=1S/C10H11ClF3NS/c11-9-3-1-2-8(6-9)7-15-4-5-16-10(12,13)14/h1-3,6,15H,4-5,7H2
InChIKeyCNSBDLPXSNHRSX-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.72
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(difluoromethyl)phenyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 114187455
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369
N-[(3-nitrophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 115584875
N-[(4-chloro-2-methylphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427292
N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315704
N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958390
N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
2-methoxy-N-[[3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]phenyl]methyl]ethanamine
CID 116627082
N-[(3-chlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206859
2-[(3-chlorophenyl)methylamino]ethanesulfonic acid
CID 18439273
2-fluoro-4-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]benzoic acid
CID 114187851
N-[(3-chlorophenyl)methyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine
CID 6498234

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine (CID 75529958) is N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine is FC(F)(F)SCCNCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is CNSBDLPXSNHRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NS/c11-9-3-1-2-8(6-9)7-15-4-5-16-10(12,13)14/h1-3,6,15H,4-5,7H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 269.72 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 75529958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).