N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine

C13H16F3NS — CID 66347132

IUPACN-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)CCSc1cccc(CNC2CC2)c1
InChIInChI=1S/C13H16F3NS/c14-13(15,16)6-7-18-12-3-1-2-10(8-12)9-17-11-4-5-11/h1-3,8,11,17H,4-7,9H2
InChIKeyLXAPZMYXTZJOAW-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.98
Rot. Bonds6

About N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine

N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine (PubChem CID 66347132) has the molecular formula C13H16F3NS and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine
PubChem CID66347132
Molecular FormulaC13H16F3NS
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC NameN-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)CCSc1cccc(CNC2CC2)c1
InChIInChI=1S/C13H16F3NS/c14-13(15,16)6-7-18-12-3-1-2-10(8-12)9-17-11-4-5-11/h1-3,8,11,17H,4-7,9H2
InChIKeyLXAPZMYXTZJOAW-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]propan-2-amine
CID 66346953
5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol
CID 66347513
N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66349069
N-[[3-(4-methylpentylsulfanyl)phenyl]methyl]cyclopropanamine
CID 83169209
2-[3-[(cyclopropylamino)methyl]phenyl]sulfanylacetonitrile
CID 66348489
N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347718
N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347709
N-[[3-(1,2-oxazol-5-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66348106
N-[[3-[(5-bromo-2-fluorophenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66349269
2-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-1-phenylethanol
CID 66347327
1-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-3-methylbutan-2-ol
CID 114250004
N-[[3-[(2-bromophenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347525

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine (CID 66347132) is N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine is FC(F)(F)CCSc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine?
The InChIKey is LXAPZMYXTZJOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NS/c14-13(15,16)6-7-18-12-3-1-2-10(8-12)9-17-11-4-5-11/h1-3,8,11,17H,4-7,9H2.
What are the key properties of N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine?
N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine has a molecular weight of 275.34 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66347132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).