N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine

C12H14F3NS — CID 60687304

IUPACN-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine
SMILESFC(F)(F)c1cccc(SCCNC2CC2)c1
InChIInChI=1S/C12H14F3NS/c13-12(14,15)9-2-1-3-11(8-9)17-7-6-16-10-4-5-10/h1-3,8,10,16H,4-7H2
InChIKeyOZMVATHNVLSNMW-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.55
Rot. Bonds5

About N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine

N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine (PubChem CID 60687304) has the molecular formula C12H14F3NS and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine
PubChem CID60687304
Molecular FormulaC12H14F3NS
Molecular Weight261.31 g/mol
Exact Mass261.08
IUPAC NameN-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine
SMILESFC(F)(F)c1cccc(SCCNC2CC2)c1
InChIInChI=1S/C12H14F3NS/c13-12(14,15)9-2-1-3-11(8-9)17-7-6-16-10-4-5-10/h1-3,8,10,16H,4-7H2
InChIKeyOZMVATHNVLSNMW-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine 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

N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]propan-2-amine
CID 60683062
3-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]aniline
CID 79128230
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
1-(4-bromobutylsulfanyl)-3-(trifluoromethyl)benzene
CID 43624662
N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 62595704
N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine
CID 62803375
N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66347132
1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol
CID 63282006
3-[3-(trifluoromethyl)phenyl]sulfanylpropanoic acid
CID 2817407
2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol
CID 43417001
1-(9-bromononylsulfanyl)-3-(trifluoromethyl)benzene
CID 105343453
1-cyclopropylsulfanyl-3-(trifluoromethyl)benzene
CID 23331546

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine?
The IUPAC name of N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine (CID 60687304) is N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine?
The canonical SMILES for N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine is FC(F)(F)c1cccc(SCCNC2CC2)c1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine?
The InChIKey is OZMVATHNVLSNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NS/c13-12(14,15)9-2-1-3-11(8-9)17-7-6-16-10-4-5-10/h1-3,8,10,16H,4-7H2.
What are the key properties of N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine?
N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine has a molecular weight of 261.31 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine is sourced from PubChem (CID 60687304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).